Geometry & MOs

Info

ID:	166944
PubChem CID:	74758092
Reduced:	ClN3O7H12C17 (1)
Stoich.:	AB3C7D12E17 (1)
Weight, g/mol:	462.99496
ΔH_f, kcal/mol:	-77.54
Dipole, Da:	9.25
IP(EA), eV:	-9.88(-2.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-2-oxoethyl] 3-(4-chloro-3-nitrophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NC(=O)COC(=O)C=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations