Geometry & MOs

Info

ID:	194793
PubChem CID:	78590777
Reduced:	ON3C21H38 (1)
Stoich.:	AB3C21D38 (1)
Weight, g/mol:	383.078071
ΔH_f, kcal/mol:	26.55
Dipole, Da:	4.53
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.001788
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,6-difluoroanilino)-2-oxoethyl] 3-[4-(difluoromethoxy)phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CC(C)C[NH+]1CCOC(C1)C[NH2+]C2CC[NH+](CC2)CC3=CC=CC=C3

DOS

IR

Vibrations