Geometry & MOs

Info

ID:	60580
PubChem CID:	26697219
Reduced:	O3N5C17H19 (1)
Stoich.:	A3B5C17D19 (1)
Weight, g/mol:	446.162391
ΔH_f, kcal/mol:	-77.16
Dipole, Da:	4.81
IP(EA), eV:	-8.52(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-ethylphenyl)-1-[4-(methylamino)-3-nitrophenyl]sulfonylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)CN2C(=O)C3=C(N=CN3C)N(C2=O)C

DOS

IR

Vibrations