Geometry & MOs

Info

ID:	343342
PubChem CID:	127266515
Reduced:	SN2O2C16H20 (1)
Stoich.:	AB2C2D16E20 (1)
Weight, g/mol:	295.102
ΔH_f, kcal/mol:	-16.74
Dipole, Da:	4.11
IP(EA), eV:	-8.71(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[cyclopropyl(2,2-difluoroethyl)amino]-3-oxoprop-1-enyl]benzoic acid

Drug info:

PubChemData

Smile

CC1=NN=C(O1)C(C)SCCC=CC2=CC(=CC=C2)OC

DOS

IR

Vibrations