Geometry & MOs

Info

ID:	339985
PubChem CID:	127261994
Reduced:	N4O5C21H30 (1)
Stoich.:	A4B5C21D30 (1)
Weight, g/mol:	497.300205
ΔH_f, kcal/mol:	-188.4
Dipole, Da:	5.29
IP(EA), eV:	-9.85(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2,6-diamino-N-[(2S)-1-[[(2R)-1-amino-1-oxopropan-2-yl]-(3-phenylpropyl)amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]hexanamide

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(=O)N)N(C(=O)[C@@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)C2=CC=CC=C2)O

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(=O)N)N(C(=O)[C@@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)C2=CC=CC=C2)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):