Geometry & MOs

Info

ID:	311954
PubChem CID:	126599436
Reduced:	SN2O2C12H16 (1)
Stoich.:	AB2C2D12E16 (1)
Weight, g/mol:	202.058971
ΔH_f, kcal/mol:	-63.12
Dipole, Da:	4.27
IP(EA), eV:	-8.3(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-2-[(E)-methoxycarbonyliminomethyl]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC1NC2=C(S1)C=CC(=C2)C(C(=O)O)N(C)C

DOS

IR

Vibrations