Geometry & MOs

Info

ID:	398061
PubChem CID:	135031588
Reduced:	ClNSC8H10 (2)
Stoich.:	ABCD8E10 (2)
Weight, g/mol:	194.167065
ΔH_f, kcal/mol:	5.61
Dipole, Da:	2.13
IP(EA), eV:	-8.65(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]butanal

Drug info:

PubChemData

Smile

CCCCSC1=C2C(=CC(=N1)Cl)C=C(N=C2SCCCC)Cl

DOS

IR

Vibrations