Geometry & MOs

Info

ID:	21085
PubChem CID:	587125
Reduced:	ClN2F3O3H16C18 (1)
Stoich.:	AB2C3D3E16F18 (1)
Weight, g/mol:	400.080155
ΔH_f, kcal/mol:	-237.4
Dipole, Da:	3.51
IP(EA), eV:	-9.18(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-anilino-2-[(3-chlorobenzoyl)amino]-3,3,3-trifluoropropanoate

Drug info:

PubChemData

Smile

CCOC(=O)C(C(F)(F)F)(NC1=CC=CC=C1)NC(=O)C2=CC(=CC=C2)Cl

DOS

IR

Vibrations