Geometry & MOs

Info

ID:	303734
PubChem CID:	124490112
Reduced:	SN4O4C21H30 (1)
Stoich.:	AB4C4D21E30 (1)
Weight, g/mol:	288.172545
ΔH_f, kcal/mol:	-159.47
Dipole, Da:	4.48
IP(EA), eV:	-9.64(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1R,5S,6S)-5-ethyl-4-(4-methoxyphenyl)-6-methylcyclohex-3-ene-1-carboxylate

Drug info:

PubChemData

Smile

C[C@H]1CCCCN1S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)N=C3)CC(=O)NCCC(C)C

DOS

IR

Vibrations