Geometry & MOs

Info

ID:	191989
PubChem CID:	78210321
Reduced:	OS2N3C17H19 (1)
Stoich.:	AB2C3D17E19 (1)
Weight, g/mol:	342.151433
ΔH_f, kcal/mol:	4.74
Dipole, Da:	3.38
IP(EA), eV:	-8.79(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-ethyl-13-ethylsulfanyl-9-methyl-12,14,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13-pentaen-11-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=O)C3C(NC2=S)SC4=C3CCN(C4)C

DOS

IR

Vibrations