Geometry & MOs

Info

ID:	214410
PubChem CID:	84981993
Reduced:	ClSO2N3C21H22 (1)
Stoich.:	ABC2D3E21F22 (1)
Weight, g/mol:	401.107709
ΔH_f, kcal/mol:	-51.45
Dipole, Da:	0.94
IP(EA), eV:	-9.21(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[1-(4-methylphenyl)propyl]acetamide

Drug info:

PubChemData

Smile

CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC(C)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations