Geometry & MOs

Info

ID:	133838
PubChem CID:	51599495
Reduced:	SN3O5C21H21 (1)
Stoich.:	AB3C5D21E21 (1)
Weight, g/mol:	466.167477
ΔH_f, kcal/mol:	-151.74
Dipole, Da:	8.35
IP(EA), eV:	-9.53(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 2,4-dimethylquinoline-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=NC2=CC=CC=C12)C)C(=O)O[C@@H](C)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N

DOS

IR

Vibrations