Geometry & MOs

Info

ID:	190351
PubChem CID:	77990437
Reduced:	N3S4O5C24H25 (1)
Stoich.:	A3B4C5D24E25 (1)
Weight, g/mol:	262.084124
ΔH_f, kcal/mol:	-102.93
Dipole, Da:	5.79
IP(EA), eV:	-8.89(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-(3-hydroxyphenyl)hexa-2,4-dienedioate

Drug info:

PubChemData

Smile

CCCS(=O)(=O)N(C1=CC=CC=C1)C(CC2=CC=C(C=C2)NS(=O)(=O)O)C3=CSC(=N3)C4=CC=CS4

DOS

IR

Vibrations