Geometry & MOs

Info

ID:	268498
PubChem CID:	103599657
Reduced:	SN2O4C21H26 (1)
Stoich.:	AB2C4D21E26 (1)
Weight, g/mol:	423.098584
ΔH_f, kcal/mol:	-122.53
Dipole, Da:	7.22
IP(EA), eV:	-9.19(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(5-acetamido-2-chloroanilino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide

Drug info:

PubChemData

Smile

CC(C)(C)CCS(=O)(=O)NC(=O)C=CC1=CC=C(C=C1)OCC2=CC=CC=N2

DOS

IR

Vibrations