Geometry & MOs

Info

ID:	16291
PubChem CID:	463558
Reduced:	OSN4C15H16 (1)
Stoich.:	ABC4D15E16 (1)
Weight, g/mol:	300.104482
ΔH_f, kcal/mol:	33.72
Dipole, Da:	3.14
IP(EA), eV:	-8.7(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-7-methyl-5-methylsulfanyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one

Drug info:

PubChemData

Smile

CCN1C2=C(C=CC=N2)C(=O)NC3=C1N=C(C=C3C)SC

DOS

IR

Vibrations