Geometry & MOs

Info

ID:	54297
PubChem CID:	16960305
Reduced:	SN4O5C17H18 (1)
Stoich.:	AB4C5D17E18 (1)
Weight, g/mol:	482.139069
ΔH_f, kcal/mol:	-40.42
Dipole, Da:	8.92
IP(EA), eV:	-9.47(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-chloro-5-nitrophenyl)methyl-methylamino]-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide

Drug info:

PubChemData

Smile

CCC(CC)C1=NN=C(S1)NC(=O)/C=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3

DOS

IR

Vibrations