Geometry & MOs

Info

ID:	38539
PubChem CID:	8137021
Reduced:	ClO2N4C17H19 (1)
Stoich.:	AB2C4D17E19 (1)
Weight, g/mol:	388.02341
ΔH_f, kcal/mol:	-19.08
Dipole, Da:	4.86
IP(EA), eV:	-9.48(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[5-bromo-2-(difluoromethoxy)phenyl]-N-[2-(cyclopropylamino)-2-oxoethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1C(=O)NCC(=O)NC2CC2)Cl)CC3=CC=CC=C3

DOS

IR

Vibrations