Geometry & MOs

Info

ID:	192906
PubChem CID:	78323590
Reduced:	NO2C18H25 (1)
Stoich.:	AB2C18D25 (1)
Weight, g/mol:	534.236601
ΔH_f, kcal/mol:	-82.97
Dipole, Da:	2.94
IP(EA), eV:	-9.17(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S,4S)-2-methyl-5-oxo-4-[(4-phenylbenzoyl)amino]-5-[(3,4,5-trimethoxyphenyl)methylamino]pentanoate

Drug info:

PubChemData

Smile

CC(C1CCCCC1)C(=O)N(C)CC(=O)C2=CC=CC=C2

DOS

IR

Vibrations