Geometry & MOs

Info

ID:	263883
PubChem CID:	103404347
Reduced:	ClNSO2C16H16 (1)
Stoich.:	ABCD2E16F16 (1)
Weight, g/mol:	242.053214
ΔH_f, kcal/mol:	-64.92
Dipole, Da:	4.14
IP(EA), eV:	-8.88(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloro-4-methylthiophen-2-yl)-(cyclohexen-1-yl)methanol

Drug info:

PubChemData

Smile

CC1=CSC(=C1Cl)C(C2=CC3=C(C=C2)NC(=O)CCC3)O

DOS

IR

Vibrations