Geometry & MOs

Info

ID:	135707
PubChem CID:	51920598
Reduced:	ClN2O5C22H25 (1)
Stoich.:	AB2C5D22E25 (1)
Weight, g/mol:	432.1452
ΔH_f, kcal/mol:	-194.74
Dipole, Da:	4.5
IP(EA), eV:	-8.87(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-chloro-4-methylanilino)-2-oxoethyl] (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)COC(=O)[C@@H](C(C)C)NC(=O)C2=CC=C(C=C2)OC)Cl

DOS

IR

Vibrations