Geometry & MOs

Info

ID:	28054
PubChem CID:	825340
Reduced:	O4H14C15 (1)
Stoich.:	A4B14C15 (1)
Weight, g/mol:	312.008389
ΔH_f, kcal/mol:	-124.8
Dipole, Da:	4.24
IP(EA), eV:	-9.71(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-nitrobenzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@@H]([C@@](C2=CC=CC=C2)(C(=O)O)O)O

DOS

IR

Vibrations