Geometry & MOs

Info

ID:	168727
PubChem CID:	75009601
Reduced:	N2O2C17H20 (1)
Stoich.:	A2B2C17D20 (1)
Weight, g/mol:	599.310769
ΔH_f, kcal/mol:	-60.04
Dipole, Da:	3.74
IP(EA), eV:	-8.86(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-N-[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1CC(C(=O)NC2=CC=CC=C2)N)C)O

DOS

IR

Vibrations