Geometry & MOs

Info

ID:	327177
PubChem CID:	126689157
Reduced:	FO2N5C27H32 (1)
Stoich.:	AB2C5D27E32 (1)
Weight, g/mol:	453.03873
ΔH_f, kcal/mol:	-73.01
Dipole, Da:	3.9
IP(EA), eV:	-8.65(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(5-bromo-2,4-difluorobenzoyl)-3-(4-methoxy-N-methylanilino)prop-2-enoate

Drug info:

PubChemData

Smile

CC(C)N1C2=C(C=NC3=CC(=C(C=C32)C4=CN=C(C=C4)OCCCN5CCCCC5)F)N(C1=O)C

DOS

IR

Vibrations