Geometry & MOs

Info

ID:	57156
PubChem CID:	22395405
Reduced:	NSO2C9H11 (1)
Stoich.:	ABC2D9E11 (1)
Weight, g/mol:	172.029107
ΔH_f, kcal/mol:	-67.55
Dipole, Da:	2.21
IP(EA), eV:	-9.38(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-hydroxy-6-methylcyclohexa-2,4-diene-1-carbonyl chloride

Drug info:

PubChemData

Smile

CC(C(=O)O)(N)SC1=CC=CC=C1

DOS

IR

Vibrations