Geometry & MOs

Info

ID:	440322
PubChem CID:	135230269
Reduced:	SO2N4H18C21 (1)
Stoich.:	AB2C4D18E21 (1)
Weight, g/mol:	490.133571
ΔH_f, kcal/mol:	39.98
Dipole, Da:	7.11
IP(EA), eV:	-8.63(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-[[6-fluoro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]sulfanylmethyl]pyridin-2-yl]-2-phenoxyacetamide

Drug info:

PubChemData

Smile

CC1=C(N=CC=C1)N2C3=CC=CC=C3N=C2SCC4=NC(=CC=C4)C(=O)OC

DOS

IR

Vibrations