Geometry & MOs

Info

ID:	165159
PubChem CID:	74507488
Reduced:	SN3O3C21H29 (1)
Stoich.:	AB3C3D21E29 (1)
Weight, g/mol:	397.069255
ΔH_f, kcal/mol:	-132.12
Dipole, Da:	5.67
IP(EA), eV:	-8.99(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 3-(4-chlorophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)NC2=NC3C(C(CC(C3S2)C(=O)NC4CCCC4)O)O)C

DOS

IR

Vibrations