Geometry & MOs

Info

ID:	392985
PubChem CID:	135018774
Reduced:	SN2O3H14C16 (1)
Stoich.:	AB2C3D14E16 (1)
Weight, g/mol:	302.22458
ΔH_f, kcal/mol:	44.64
Dipole, Da:	6.97
IP(EA), eV:	-8.84(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3R,7S,8S)-7-hydroxy-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-en-9-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@H]2[C@H](C(=S)N2C3=CC=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations