Geometry & MOs

Info

ID:	135152
PubChem CID:	51824989
Reduced:	N2O2Cl3C25H29 (1)
Stoich.:	A2B2C3D25E29 (1)
Weight, g/mol:	430.192629
ΔH_f, kcal/mol:	-92.29
Dipole, Da:	7.31
IP(EA), eV:	-9.39(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-2-[tert-butyl(formyl)amino]-N-[(4-methylphenyl)sulfonylmethyl]-3-phenylbutanamide

Drug info:

PubChemData

Smile

CC(C)(C)N([C@@H](C1=C(C=CC=C1Cl)Cl)C(=O)NC2CCCCC2)C(=O)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations