Geometry & MOs

Info

ID:	135159
PubChem CID:	51826594
Reduced:	N2O4C31H34 (1)
Stoich.:	A2B4C31D34 (1)
Weight, g/mol:	474.182458
ΔH_f, kcal/mol:	-128.47
Dipole, Da:	7.18
IP(EA), eV:	-8.87(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-2,3-dihydroxy-N-[(E,2R)-1-[(4-methylphenyl)sulfonylmethylamino]-1-oxopent-3-en-2-yl]benzamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)[C@@H](C1=CC2=CC=CC=C2C3=CC=CC=C31)N(C(=O)C4=C(C=CC=C4O)O)C(C)(C)C

DOS

IR

Vibrations