Geometry & MOs

Info

ID:	163650
PubChem CID:	58106536
Reduced:	O2S2C33H38 (1)
Stoich.:	A2B2C33D38 (1)
Weight, g/mol:	400.128572
ΔH_f, kcal/mol:	-16.01
Dipole, Da:	1.93
IP(EA), eV:	-8.28(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dimethyl-14-(4-methylphenyl)-13-thiahexacyclo[9.8.2.02,7.08,20.012,16.017,21]henicosa-1,3,5,7,9,11,14,16,18,20-decaene

Drug info:

PubChemData

Smile

CCOCCCCCC1=C2C3=C4C(=CC=C5C4=C(C=C3)C6=C5SC(=C6)C)C2=C(S1)CCCCCOCC

DOS

IR

Vibrations