Geometry & MOs

Info

ID:	142657
PubChem CID:	53072247
Reduced:	OSN2C10H10 (2)
Stoich.:	ABC2D10E10 (2)
Weight, g/mol:	426.091725
ΔH_f, kcal/mol:	3.37
Dipole, Da:	7.07
IP(EA), eV:	-8.46(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-(2-chlorobenzoyl)pyrrolidin-2-yl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)C2=NN=C(S2)C3CCCN3C(=O)CC4=CC=CS4

DOS

IR

Vibrations