Geometry & MOs

Info

ID:	49932
PubChem CID:	11538229
Reduced:	N6C23H24 (1)
Stoich.:	A6B23C24 (1)
Weight, g/mol:	385.152537
ΔH_f, kcal/mol:	153.37
Dipole, Da:	6.06
IP(EA), eV:	-8.56(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-methoxy-2-methylphenyl)-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid

Drug info:

PubChemData

Smile

C1CNCCC1CNCC2=CC3=C/C(=C\4/C5=C(C=C(C=C5)C#N)NN4)/N=C3C=C2

DOS

IR

Vibrations