Geometry & MOs

Info

ID:	197559
PubChem CID:	78978443
Reduced:	FNO3C16H18 (1)
Stoich.:	ABC3D16E18 (1)
Weight, g/mol:	354.05791
ΔH_f, kcal/mol:	-127.08
Dipole, Da:	4.32
IP(EA), eV:	-9.57(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[2-(2-bromoanilino)-2-oxoethyl]-prop-2-enylamino]acetate

Drug info:

PubChemData

Smile

CCOC(=O)CN(CC=C)C(=O)/C=C/C1=CC=C(C=C1)F

DOS

IR

Vibrations