Geometry & MOs

Info

ID:	397484
PubChem CID:	135030274
Reduced:	SN2O2C33H34 (1)
Stoich.:	AB2C2D33E34 (1)
Weight, g/mol:	412.219101
ΔH_f, kcal/mol:	5.23
Dipole, Da:	6.24
IP(EA), eV:	-8.84(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hexacyclo[14.10.2.24,7.210,13.017,26.018,23]dotriaconta-1(26),4,6,10(30),11,13(29),16,18,20,22,24,27,31-tridecaene

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NN=C(C)C2=C3CCC4=CC=C(CCC5=CC=C(CCC(=C2)C=C3)C=C5)C=C4

DOS

IR

Vibrations