Geometry & MOs

Info

ID:	243272
PubChem CID:	99218134
Reduced:	SN2O3C21H24 (1)
Stoich.:	AB2C3D21E24 (1)
Weight, g/mol:	403.050588
ΔH_f, kcal/mol:	-96.19
Dipole, Da:	1.67
IP(EA), eV:	-9.07(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-4-(ethylamino)-3-nitrobenzamide

Drug info:

PubChemData

Smile

CC1=CC=C(S1)[C@@H](C)NC(=O)[C@H](CC(C)C)N2C(=O)C3=CC=CC=C3C2=O

DOS

IR

Vibrations