Geometry & MOs

Info

ID:	194333
PubChem CID:	78517815
Reduced:	FSN2O3H17C19 (1)
Stoich.:	ABC2D3E17F19 (1)
Weight, g/mol:	387.092059
ΔH_f, kcal/mol:	-114.4
Dipole, Da:	4.16
IP(EA), eV:	-9.08(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-chlorophenyl)ethyl]-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)F)SC2=NC3=CC=CC=C3C(=O)N2CC(=O)OC

DOS

IR

Vibrations