Geometry & MOs

Info

ID:	156431
PubChem CID:	56370578
Reduced:	O2N3C25H31 (1)
Stoich.:	A2B3C25D31 (1)
Weight, g/mol:	387.172896
ΔH_f, kcal/mol:	-78.93
Dipole, Da:	3.52
IP(EA), eV:	-7.97(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-N-[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]thiadiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(CC(=O)NC1=CC(=CC=C1)N2CCCC2)NC(=O)C3=CC4=C(CCCC4)C=C3

DOS

IR

Vibrations