Geometry & MOs

Info

ID:	88842
PubChem CID:	49957240
Reduced:	SN3O4H25C26 (1)
Stoich.:	AB3C4D25E26 (1)
Weight, g/mol:	379.189592
ΔH_f, kcal/mol:	-9.89
Dipole, Da:	8.81
IP(EA), eV:	-8.86(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-acetamido-N-(3-amino-3-oxopropyl)-N-benzyl-3-(2-methylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NS(=O)(=O)C2=CC3=C(C=C2)NC(C4C3C=CC4)C5=CC=CC=C5[N+](=O)[O-]

DOS

IR

Vibrations