Geometry & MOs

Info

ID:	435398
PubChem CID:	135191359
Reduced:	SN2O2C17H18 (1)
Stoich.:	AB2C2D17E18 (1)
Weight, g/mol:	145.037508
ΔH_f, kcal/mol:	-12.29
Dipole, Da:	1.81
IP(EA), eV:	-8.24(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-O-amino 1-O-methyl (E)-but-2-enedioate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=C(SC(N2)N)C3=CC=CC=C3)OC

DOS

IR

Vibrations