Geometry & MOs

Info

ID:	242962
PubChem CID:	99214530
Reduced:	ClO3N4C24H27 (1)
Stoich.:	AB3C4D24E27 (1)
Weight, g/mol:	465.183461
ΔH_f, kcal/mol:	-58.92
Dipole, Da:	5.83
IP(EA), eV:	-8.37(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-[3-[4-(cyclopropylmethyl)piperazin-1-yl]anilino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide

Drug info:

PubChemData

Smile

C1CC1CN2CCN(CC2)C3=CC=CC(=C3)NC(=O)CCN4C5=C(C=C(C=C5)Cl)OC4=O

DOS

IR

Vibrations