Geometry & MOs

Info

ID:	27424
PubChem CID:	821304
Reduced:	NSO2C15H15 (1)
Stoich.:	ABC2D15E15 (1)
Weight, g/mol:	222.16198
ΔH_f, kcal/mol:	-48.87
Dipole, Da:	4.77
IP(EA), eV:	-8.65(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1aS,4aR,7S,7aS,7bS)-4a-hydroxy-1,1,7-trimethyl-1a,2,3,5,6,7,7a,7b-octahydrocyclopropa[e]azulen-4-one

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C(=CS2)C(=O)NC3=CC=CC=C3O

DOS

IR

Vibrations