Geometry & MOs

Info

ID:	21943
PubChem CID:	593990
Reduced:	OSN2C18H18 (1)
Stoich.:	ABC2D18E18 (1)
Weight, g/mol:	310.113984
ΔH_f, kcal/mol:	-10.02
Dipole, Da:	2.53
IP(EA), eV:	-8.48(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9,9,13,14-tetramethyl-15-thia-10,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,12(16),13-hexaen-11-one

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N3C(=N2)C4=CC=CC=C4CC3(C)C)C

DOS

IR

Vibrations