Geometry & MOs

Info

ID:	216572
PubChem CID:	85086440
Reduced:	NOSC6H7 (2)
Stoich.:	ABCD6E7 (2)
Weight, g/mol:	282.128966
ΔH_f, kcal/mol:	-50.27
Dipole, Da:	6.66
IP(EA), eV:	-9.15(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methylsulfanyl]-3-oxobutanoate

Drug info:

PubChemData

Smile

CC(CN1C(=O)C2C3=C(CCC3)SC2=NC1=O)S

DOS

IR

Vibrations