Geometry & MOs

Info

ID:	167112
PubChem CID:	74782551
Reduced:	FO3N4C20H25 (1)
Stoich.:	AB3C4D20E25 (1)
Weight, g/mol:	419.211687
ΔH_f, kcal/mol:	-147.77
Dipole, Da:	2.04
IP(EA), eV:	-9.07(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[3-methyl-4-[[2-(1-methylpyrrol-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]sulfamoyl]phenyl]propanamide

Drug info:

PubChemData

Smile

CCCCN1C2C(C=C1C(=O)NC3=CC(=C(C=C3)C)F)C(=O)N(C(=O)N2C)C

DOS

IR

Vibrations