Geometry & MOs

Info

ID:	155432
PubChem CID:	56364588
Reduced:	SO3N4C25H30 (1)
Stoich.:	AB3C4D25E30 (1)
Weight, g/mol:	400.193297
ΔH_f, kcal/mol:	-94.19
Dipole, Da:	3.81
IP(EA), eV:	-8.1(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dimethyl-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CCCC(C(=O)NC1=CC(=CC=C1)N2CCCC2)NC(=O)CN3C(=O)CSC4=CC=CC=C43

DOS

IR

Vibrations