Geometry & MOs

Info

ID:	37524
PubChem CID:	8021850
Reduced:	BrOSN5C12H14 (1)
Stoich.:	ABCD5E12F14 (1)
Weight, g/mol:	348.136845
ΔH_f, kcal/mol:	52.65
Dipole, Da:	3.84
IP(EA), eV:	-9.54(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dimethylphenyl)-2-[methyl-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]acetamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)Br)NC(=O)CSC2=NN=NN2C

DOS

IR

Vibrations