Geometry & MOs

Info

ID:	55987
PubChem CID:	17398236
Reduced:	BrSN3O3C19H24 (1)
Stoich.:	ABC3D3E19F24 (1)
Weight, g/mol:	405.141259
ΔH_f, kcal/mol:	-91.05
Dipole, Da:	2.47
IP(EA), eV:	-9.15(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methoxyphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(2,2,2-trifluoroethyl)acetamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NCC(=O)NC2=CC(=CC=C2)Br)C

DOS

IR

Vibrations