Geometry & MOs

Info

ID:	45070
PubChem CID:	10507751
Reduced:	N5O5C34H39 (1)
Stoich.:	A5B5C34D39 (1)
Weight, g/mol:	598.263879
ΔH_f, kcal/mol:	-165.91
Dipole, Da:	4.82
IP(EA), eV:	-8.54(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(3S)-4-[[2-[2-(benzhydrylamino)-2-oxoethoxy]-2-oxoethyl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutyl]amino]-4-oxobutanoic acid

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

C1=CC=C(C=C1)CC[C@H](CNC(=O)CCC(=O)O)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)N

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

C1=CC=C(C=C1)CC[C@H](CNC(=O)CCC(=O)O)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):