Geometry & MOs

Info

ID:	286204
PubChem CID:	104161072
Reduced:	SN2O2C9H18 (1)
Stoich.:	AB2C2D9E18 (1)
Weight, g/mol:	298.112899
ΔH_f, kcal/mol:	-101.07
Dipole, Da:	4.72
IP(EA), eV:	-8.65(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5,6-difluoro-2-(3-methoxybutyl)benzimidazol-1-yl]acetic acid

Drug info:

PubChemData

Smile

CC(CCC(=O)NCCC(=S)N)OC

DOS

IR

Vibrations