Geometry & MOs

Info

ID:	194016
PubChem CID:	78469049
Reduced:	N2O4C23H25 (1)
Stoich.:	A2B4C23D25 (1)
Weight, g/mol:	383.115107
ΔH_f, kcal/mol:	-93.17
Dipole, Da:	3.33
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.211569
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)propanamide

Drug info:

PubChemData

Smile

C1COCC[NH+]1CN2C3=CC=CC=C3C(C2=O)(CC(=O)C=CC4=CC=CC=C4)O

DOS

IR

Vibrations