Geometry & MOs

Info

ID:	15924
PubChem CID:	455291
Reduced:	NBr2O3C13H13 (1)
Stoich.:	AB2C3D13E13 (1)
Weight, g/mol:	390.92417
ΔH_f, kcal/mol:	-104.49
Dipole, Da:	5.86
IP(EA), eV:	-9.09(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,4-dibromoanilino)-4-(2-hydroxyprop-1-enyl)oxolan-2-one

Drug info:

PubChemData

Smile

CC(=CC1CC(=O)OC1NC2=C(C=C(C=C2)Br)Br)O

DOS

IR

Vibrations