Geometry & MOs

Info

ID:	40060
PubChem CID:	8143501
Reduced:	N2O2C23H25 (1)
Stoich.:	A2B2C23D25 (1)
Weight, g/mol:	326.087118
ΔH_f, kcal/mol:	-31.19
Dipole, Da:	11.11
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.073476
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-(pyrrolidin-1-ylmethyl)-2-sulfanylidenebenzimidazole-5-sulfonamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC3=CC=CC=C3C(=C2O)C[NH+]4CCCC4

DOS

IR

Vibrations