Geometry & MOs

Info

ID:	37128
PubChem CID:	8017213
Reduced:	ClSN2O4H19C20 (1)
Stoich.:	ABC2D4E19F20 (1)
Weight, g/mol:	374.083747
ΔH_f, kcal/mol:	-81.2
Dipole, Da:	1.95
IP(EA), eV:	-8.25(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl (Z)-2-(5-phenyltetrazol-1-yl)-3-thiophen-2-ylprop-2-enoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=NC(=CS1)C2=C(C=CC(=C2)OC)OC)OC3=CC=C(C=C3)Cl

DOS

IR

Vibrations