Geometry & MOs

Info

ID:	132003
PubChem CID:	51289486
Reduced:	ClS2N3O3C15H16 (1)
Stoich.:	AB2C3D3E15F16 (1)
Weight, g/mol:	391.093681
ΔH_f, kcal/mol:	-84.4
Dipole, Da:	4.73
IP(EA), eV:	-8.54(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-fluorophenyl)methyl]-N-methyl-2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylacetamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)SCC(=O)NC2=CC(=C(C=C2)OC)Cl)CC(=O)N

DOS

IR

Vibrations