Geometry & MOs

Info

ID:	313090
PubChem CID:	126611829
Reduced:	SN4O4C20H23 (1)
Stoich.:	AB4C4D20E23 (1)
Weight, g/mol:	416.151826
ΔH_f, kcal/mol:	-43.44
Dipole, Da:	9.0
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.784731
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(cyclopropylmethyl)-6-(5-methoxy-1-methyl-6-oxopyridin-3-yl)-2-methylbenzimidazol-4-yl]methanesulfonamide

Drug info:

PubChemData

Smile

CC1=NC2=C(C=C(C=C2N1CC3CC3)C4=CN(C(=O)C(=C4)OC)C)N=[S-](=O)OC

DOS

IR

Vibrations