Geometry & MOs

Info

ID:	358794
PubChem CID:	127296660
Reduced:	NOC9H12 (2)
Stoich.:	ABC9D12 (2)
Weight, g/mol:	375.107519
ΔH_f, kcal/mol:	-84.78
Dipole, Da:	7.12
IP(EA), eV:	-9.15(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-[[2-(4-methylidenepiperidin-1-yl)-2-oxoethyl]sulfanylmethyl]-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(NC2=C1C(=O)CC(C2)(C)C)C(=O)N3CCC(=C)CC3

DOS

IR

Vibrations