Geometry & MOs

Info

ID:	372781
PubChem CID:	131304596
Reduced:	ClNOC12H12 (1)
Stoich.:	ABCD12E12 (1)
Weight, g/mol:	252.058693
ΔH_f, kcal/mol:	-10.33
Dipole, Da:	5.06
IP(EA), eV:	-9.92(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1R,2R)-2-hydroxy-2-methylcyclohexyl]cyclopropane-1-sulfonyl chloride

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)C(C)Cl)CC#N

DOS

IR

Vibrations