Geometry & MOs

Info

ID:	136313
PubChem CID:	52017699
Reduced:	SN2O5H20C26 (1)
Stoich.:	AB2C5D20E26 (1)
Weight, g/mol:	361.049715
ΔH_f, kcal/mol:	-90.71
Dipole, Da:	3.11
IP(EA), eV:	-8.85(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dichlorophenyl)-3-(1-ethyltetrazol-5-yl)benzamide

Drug info:

PubChemData

Smile

C[C@@]1(C(=O)NC2=CC=CC=C2S1)C(=O)NC3=C(OC4=CC=CC=C43)C(=O)C5=CC(=CC=C5)OC

DOS

IR

Vibrations