Geometry & MOs

Info

ID:	45350
PubChem CID:	10511760
Reduced:	SN2O2C7H10 (1)
Stoich.:	AB2C2D7E10 (1)
Weight, g/mol:	188.068473
ΔH_f, kcal/mol:	-23.52
Dipole, Da:	2.78
IP(EA), eV:	-9.02(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3R,4R)-1,3,4-trihydroxy-5-methylidenecyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=O)ON1C(=S)N(C)C

DOS

IR

Vibrations