Geometry & MOs

Info

ID:	217093
PubChem CID:	85087237
Reduced:	NSO2C19H25 (1)
Stoich.:	ABC2D19E25 (1)
Weight, g/mol:	331.196986
ΔH_f, kcal/mol:	-35.11
Dipole, Da:	3.21
IP(EA), eV:	-8.6(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,7,7-trimethyl-3-(1-phenylbut-3-enylamino)sulfanylbicyclo[2.2.1]heptan-2-ol

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1S(=O)CC(CC2=CC=CC=C2)O)N(C)C

DOS

IR

Vibrations