Geometry & MOs

Info

ID:	268492
PubChem CID:	103599616
Reduced:	SN3O3C22H23 (1)
Stoich.:	AB3C3D22E23 (1)
Weight, g/mol:	403.153206
ΔH_f, kcal/mol:	-38.92
Dipole, Da:	6.42
IP(EA), eV:	-8.55(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[[2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]ethyl]benzamide

Drug info:

PubChemData

Smile

CC(C)C1=NC(=CS1)CCNC(=O)C(=CC2=CC=CO2)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations