Geometry & MOs

Info

ID:	44556
PubChem CID:	10504033
Reduced:	NOSiC22H35 (1)
Stoich.:	ABCD22E35 (1)
Weight, g/mol:	457.128255
ΔH_f, kcal/mol:	-89.27
Dipole, Da:	3.39
IP(EA), eV:	-8.18(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-butyl-11-(4-methylphenyl)-13-phenyl-4-sulfanylidene-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-6-one

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=CC(=C1O[Si](C)(C)C)C(C)(C)C)C2=CC=CN2C

DOS

IR

Vibrations