Geometry & MOs

Info

ID:	33275
PubChem CID:	7885785
Reduced:	SN3O4C19H19 (1)
Stoich.:	AB3C4D19E19 (1)
Weight, g/mol:	290.108899
ΔH_f, kcal/mol:	-105.57
Dipole, Da:	2.32
IP(EA), eV:	-8.77(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-(3,3-dimethyl-2-oxobutyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NC[C@H]3COC4=CC=CC=C4O3)C

DOS

IR

Vibrations