Geometry & MOs

Info

ID:	237183
PubChem CID:	92717785
Reduced:	ClSN2O3C15H17 (1)
Stoich.:	ABC2D3E15F17 (1)
Weight, g/mol:	390.137971
ΔH_f, kcal/mol:	-48.86
Dipole, Da:	3.34
IP(EA), eV:	-9.65(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-2-[[(E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoyl]amino]benzamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)S(=O)(=O)N[C@H](C2CC2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations