Geometry & MOs

Info

ID:	181484
PubChem CID:	76749816
Reduced:	NOSC21H41 (1)
Stoich.:	ABCD21E41 (1)
Weight, g/mol:	779.494547
ΔH_f, kcal/mol:	-86.58
Dipole, Da:	3.41
IP(EA), eV:	-8.87(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[5-[(5-amino-2-benzyl-4-oxo-6-phenylhexanoyl)amino]-2-(3-aminopropyl)-7-methyl-4-oxooctanoyl]amino]-2-(2,5-diaminopentanoylamino)hexanoic acid

Drug info:

PubChemData

Smile

CCCCCC=CCC=CCCCCCCCSC(CN(C)C)O

DOS

IR

Vibrations