Geometry & MOs

Info

ID:	217806
PubChem CID:	85088417
Reduced:	NO6C22H27 (1)
Stoich.:	AB6C22D27 (1)
Weight, g/mol:	401.129694
ΔH_f, kcal/mol:	-227.05
Dipole, Da:	2.76
IP(EA), eV:	-9.69(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[2-(2-propan-2-ylsulfinylphenyl)anilino]but-2-enedioate

Drug info:

PubChemData

Smile

CC(C)C(C(CO)O)(C(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations