Geometry & MOs

Info

ID:	145550
PubChem CID:	53543173
Reduced:	SO2N3C18H19 (1)
Stoich.:	AB2C3D18E19 (1)
Weight, g/mol:	345.112484
ΔH_f, kcal/mol:	-18.69
Dipole, Da:	3.61
IP(EA), eV:	-8.63(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-amino-3-oxopropyl)-4-fluoro-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CC2)NC(=O)C3=CN=C(C=C3)SC

DOS

IR

Vibrations