Geometry & MOs

Info

ID:	384371
PubChem CID:	134976864
Reduced:	NO2S2C23H35 (1)
Stoich.:	AB2C2D23E35 (1)
Weight, g/mol:	184.125201
ΔH_f, kcal/mol:	-18.1
Dipole, Da:	1.29
IP(EA), eV:	-8.54(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8S,9S)-tricyclo[7.5.0.02,8]tetradeca-1(14),2,5,11-tetraene

Drug info:

PubChemData

Smile

CC1(CSCC([C@]23C1=C4[C@@]2(C(CSCC4(C)C)(C)C)N=C3C(=O)OC)(C)C)C

DOS

IR

Vibrations