Geometry & MOs

Info

ID:	135187
PubChem CID:	51831104
Reduced:	N3O3C33H37 (1)
Stoich.:	A3B3C33D37 (1)
Weight, g/mol:	527.245392
ΔH_f, kcal/mol:	-80.26
Dipole, Da:	3.57
IP(EA), eV:	-8.66(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[tert-butyl-[(E,2S)-1-[(4-methylphenyl)sulfonylmethylamino]-1-oxohept-3-en-2-yl]amino]-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)[C@@H](C1=CC2=CC=CC=C2C3=CC=CC=C31)N(C(=O)CNC(=O)C4=CC=CC=C4)C(C)(C)C

DOS

IR

Vibrations