Geometry & MOs

Info

ID:	214411
PubChem CID:	84981995
Reduced:	ClOSN5C19H20 (1)
Stoich.:	ABCD5E19F20 (1)
Weight, g/mol:	401.107709
ΔH_f, kcal/mol:	58.87
Dipole, Da:	1.57
IP(EA), eV:	-9.24(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(4-propan-2-ylphenyl)propanamide

Drug info:

PubChemData

Smile

CCC(C1=CC=C(C=C1)C)NC(=O)CSC2=NN=NN2C3=CC=C(C=C3)Cl

DOS

IR

Vibrations