Geometry & MOs

Info

ID:	309135
PubChem CID:	126538260
Reduced:	SN2H26C36 (1)
Stoich.:	AB2C26D36 (1)
Weight, g/mol:	363.108171
ΔH_f, kcal/mol:	156.96
Dipole, Da:	3.82
IP(EA), eV:	-7.67(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

14-(4-methylphenyl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

Drug info:

PubChemData

Smile

C/C=C\C(=C/C)\N1C2=C(C3=CC=CC=C31)C4=C(C=C2)N(C5=CC=CC=C54)C6=CC7=C(C=C6)SC8=CC=CC=C87

DOS

IR

Vibrations