Geometry & MOs

Info

ID:	137467
PubChem CID:	52211802
Reduced:	O3N4C13H16 (1)
Stoich.:	A3B4C13D16 (1)
Weight, g/mol:	400.141656
ΔH_f, kcal/mol:	-18.77
Dipole, Da:	9.29
IP(EA), eV:	-9.53(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-morpholin-4-ylsulfonyl-2-nitroanilino)-N-propan-2-ylpropanamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)CCNC1=C(C=C(C=C1)[N+](=O)[O-])C#N

DOS

IR

Vibrations