Geometry & MOs

Info

ID:	27775
PubChem CID:	823504
Reduced:	BrN3O3H8C11 (1)
Stoich.:	AB3C3D8E11 (1)
Weight, g/mol:	327.147058
ΔH_f, kcal/mol:	-70.45
Dipole, Da:	8.28
IP(EA), eV:	-9.8(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-4-(2,5-dimethylanilino)-3-(3-methoxyphenyl)-4-oxobutanoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Br)C=NC2=CC(=O)NC(=O)N2)O

DOS

IR

Vibrations