Geometry & MOs

Info

ID:	135596
PubChem CID:	51898366
Reduced:	Cl2N2O4H22C25 (1)
Stoich.:	A2B2C4D22E25 (1)
Weight, g/mol:	462.155764
ΔH_f, kcal/mol:	-120.14
Dipole, Da:	5.96
IP(EA), eV:	-9.67(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] (2R)-2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoate

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)NC(=O)COC(=O)C[C@@H](C2=CC=CC=C2)NC(=O)C3=CC=CC=C3Cl

DOS

IR

Vibrations