Geometry & MOs

Info

ID:	192500
PubChem CID:	78277519
Reduced:	NSO3C18H21 (1)
Stoich.:	ABC3D18E21 (1)
Weight, g/mol:	271.041149
ΔH_f, kcal/mol:	-115.57
Dipole, Da:	5.71
IP(EA), eV:	-8.73(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] but-2-enoate

Drug info:

PubChemData

Smile

CC1=C(SC=C1)C(=O)OC(C)C(=O)NC2=C(C=C(C=C2C)C)C

DOS

IR

Vibrations