Geometry & MOs

Info

ID:	36857
PubChem CID:	8013820
Reduced:	N2O7C18H26 (1)
Stoich.:	A2B7C18D26 (1)
Weight, g/mol:	385.069255
ΔH_f, kcal/mol:	-284.19
Dipole, Da:	6.34
IP(EA), eV:	-8.46(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-[3-(trifluoromethyl)phenyl]acetate

Drug info:

PubChemData

Smile

CC[C@@H](C)NC(=O)NC(=O)COC(=O)CC1=CC(=C(C(=C1)OC)OC)OC

DOS

IR

Vibrations