Geometry & MOs

Info

ID:	37523
PubChem CID:	8021843
Reduced:	NCl2O4H15C17 (1)
Stoich.:	AB2C4D15E17 (1)
Weight, g/mol:	355.01024
ΔH_f, kcal/mol:	-119.36
Dipole, Da:	6.87
IP(EA), eV:	-9.4(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(4-bromophenyl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C(=O)[C@@H](C)OC(=O)C2=CC(=C(N=C2)Cl)Cl

DOS

IR

Vibrations