Geometry & MOs

Info

ID:	268510
PubChem CID:	103599686
Reduced:	ClSO2N4C19H23 (1)
Stoich.:	ABC2D4E19F23 (1)
Weight, g/mol:	403.153206
ΔH_f, kcal/mol:	-38.72
Dipole, Da:	6.7
IP(EA), eV:	-9.01(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(3-anilino-3-oxopropyl)amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide

Drug info:

PubChemData

Smile

CC(C)C(C)NC(=O)C1CSCN1C(=O)C=CC2=C(N=C3N2C=CC=C3)Cl

DOS

IR

Vibrations