Geometry & MOs

Info

ID:	146412
PubChem CID:	53685386
Reduced:	OC12H16 (2)
Stoich.:	AB12C16 (2)
Weight, g/mol:	341.093309
ΔH_f, kcal/mol:	-83.65
Dipole, Da:	6.88
IP(EA), eV:	-9.0(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methylsulfanyl-2-[(3,4,5-trimethoxybenzoyl)amino]but-2-enoic acid

Drug info:

PubChemData

Smile

CC(=CC=C)[C@H]1CCC2[C@@]1(CCC3C2CC(=O)C4=CC(=O)CC[C@]34C)C

DOS

IR

Vibrations