Geometry & MOs

Info

ID:	195202
PubChem CID:	78654297
Reduced:	SO2N3H23C24 (1)
Stoich.:	AB2C3D23E24 (1)
Weight, g/mol:	382.036792
ΔH_f, kcal/mol:	-9.57
Dipole, Da:	5.72
IP(EA), eV:	-8.62(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(3-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 3-(5-nitrofuran-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CCN(C1=CC=CC=C1)C(=O)C(C)SC2=NC3=CC4=CC=CC=C4C=C3C(=O)N2C

DOS

IR

Vibrations