Geometry & MOs

Info

ID:	264838
PubChem CID:	103496250
Reduced:	SN3C17H27 (1)
Stoich.:	AB3C17D27 (1)
Weight, g/mol:	279.110673
ΔH_f, kcal/mol:	10.75
Dipole, Da:	2.48
IP(EA), eV:	-8.51(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methoxycarbonylanilino)-2,3-dimethyl-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CCSC1=CC=CC(=C1C(=N)N)N2CCC(CC2)C(C)C

DOS

IR

Vibrations