Geometry & MOs

Info

ID:	327178
PubChem CID:	126689158
Reduced:	BrNF2O4H18C20 (1)
Stoich.:	ABC2D4E18F20 (1)
Weight, g/mol:	453.03873
ΔH_f, kcal/mol:	-194.0
Dipole, Da:	8.61
IP(EA), eV:	-9.12(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (Z)-2-(5-bromo-2,4-difluorobenzoyl)-3-[(4-methoxyphenyl)methylamino]prop-2-enoate

Drug info:

PubChemData

Smile

CCOC(=O)C(=CN(C)C1=CC=C(C=C1)OC)C(=O)C2=CC(=C(C=C2F)F)Br

DOS

IR

Vibrations