Geometry & MOs

Info

ID:	141145
PubChem CID:	52825761
Reduced:	S2N3O3H23C24 (1)
Stoich.:	A2B3C3D23E24 (1)
Weight, g/mol:	399.165034
ΔH_f, kcal/mol:	-55.05
Dipole, Da:	5.65
IP(EA), eV:	-8.84(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butyl-2-(5-hydroxypentylsulfanyl)-N,N-dimethylbenzimidazole-5-sulfonamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NCCC1=CC(=CC=C1)O)SCC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2

DOS

IR

Vibrations