Geometry & MOs

Info

ID:	16246
PubChem CID:	462704
Reduced:	O4N5C34H41 (1)
Stoich.:	A4B5C34D41 (1)
Weight, g/mol:	583.315855
ΔH_f, kcal/mol:	-125.13
Dipole, Da:	4.04
IP(EA), eV:	-8.47(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4S,5S)-5-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]-4-hydroxy-N-[1H-indol-2-yl(phenyl)methyl]-2-methyl-6-phenylhexanamide

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C[C@H](C[C@@H]([C@H](CC1=CC=CC=C1)NC(=O)[C@H](C)NC(=O)[C@H](C)N)O)C(=O)NC(C2=CC=CC=C2)C3=CC4=CC=CC=C4N3

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C[C@H](C[C@@H]([C@H](CC1=CC=CC=C1)NC(=O)[C@H](C)NC(=O)[C@H](C)N)O)C(=O)NC(C2=CC=CC=C2)C3=CC4=CC=CC=C4N3

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):