Geometry & MOs

Info

ID:	331238
PubChem CID:	127248645
Reduced:	SN3O4C23H29 (1)
Stoich.:	AB3C4D23E29 (1)
Weight, g/mol:	391.167811
ΔH_f, kcal/mol:	-130.73
Dipole, Da:	2.48
IP(EA), eV:	-9.09(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-N-(2-methylpropyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1S(=O)(=O)N2CCC(C2)C3=C(C=CC=N3)C(=O)N4CCCC4)C)OC

DOS

IR

Vibrations