Geometry & MOs

Info

ID:	194791
PubChem CID:	78590181
Reduced:	NO5C16H21 (1)
Stoich.:	AB5C16D21 (1)
Weight, g/mol:	399.04852
ΔH_f, kcal/mol:	-192.42
Dipole, Da:	4.18
IP(EA), eV:	-9.15(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 3-[4-(difluoromethoxy)phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CC(C)C(C)NC(=O)COC(=O)C1COC2=CC=CC=C2O1

DOS

IR

Vibrations