Geometry & MOs

Info

ID:	183209
PubChem CID:	76991439
Reduced:	NO4C12H19 (1)
Stoich.:	AB4C12D19 (1)
Weight, g/mol:	357.99645
ΔH_f, kcal/mol:	-182.06
Dipole, Da:	5.27
IP(EA), eV:	-9.43(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-bromo-2-fluorophenyl)carbamoylamino]-2,3-dimethyl-4-oxobut-2-enoic acid

Drug info:

PubChemData

Smile

CC1CN(C(CO1)C)C(=O)C(=C(C)C(=O)O)C

DOS

IR

Vibrations