Geometry & MOs

Info

ID:	398769
PubChem CID:	135035318
Reduced:	NSO2C19H25 (1)
Stoich.:	ABC2D19E25 (1)
Weight, g/mol:	202.135765
ΔH_f, kcal/mol:	-54.45
Dipole, Da:	5.92
IP(EA), eV:	-8.85(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,8bS)-2,2-dimethyl-1,3,4,8b-tetrahydrobiphenylen-4a-ol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CC3C[C@@H](C(C2)C3=C(C)C)C=C

DOS

IR

Vibrations