Geometry & MOs

Info

ID:	166313
PubChem CID:	74669080
Reduced:	FN2O3C25H28 (1)
Stoich.:	AB2C3D25E28 (1)
Weight, g/mol:	464.177466
ΔH_f, kcal/mol:	-85.7
Dipole, Da:	4.21
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.119260
Charge, e:	1

Chem-info

IUPAC name:

[2-[(2-chloro-5-pyrrolidin-1-ylsulfonylbenzoyl)amino]-1-(4-ethylphenyl)ethyl]-dimethylazanium

Drug info:

PubChemData

Smile

C[NH+](C)C(CNC(=O)C1=CC=CC=C1OCCOC2=CC=CC=C2)C3=CC(=CC=C3)F

DOS

IR

Vibrations