Geometry & MOs

Info

ID:	36936
PubChem CID:	8015060
Reduced:	NCl2O3H15C17 (1)
Stoich.:	AB2C3D15E17 (1)
Weight, g/mol:	305.131031
ΔH_f, kcal/mol:	-108.06
Dipole, Da:	5.99
IP(EA), eV:	-9.1(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-butan-2-yl]-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(=O)OCC(=O)NC2=C(C=CC(=C2)Cl)Cl

DOS

IR

Vibrations