Geometry & MOs

Info

ID:	237314
PubChem CID:	92718205
Reduced:	ClON3S3H10C16 (1)
Stoich.:	ABC3D3E10F16 (1)
Weight, g/mol:	383.141596
ΔH_f, kcal/mol:	100.83
Dipole, Da:	4.4
IP(EA), eV:	-8.66(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(O2)CSC3=NN(C(=S)S3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations