Geometry & MOs

Info

ID:	159277
PubChem CID:	57269409
Reduced:	NOC21H23 (1)
Stoich.:	ABC21D23 (1)
Weight, g/mol:	144.060886
ΔH_f, kcal/mol:	-10.04
Dipole, Da:	4.62
IP(EA), eV:	-8.45(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dimethylpent-3-enethioic S-acid

Drug info:

PubChemData

Smile

CCC1=CC2=C(C=C1)NC(=O)C2=CC3=C(C4=C(C3)CCCC4)C

DOS

IR

Vibrations