Geometry & MOs

Info

ID:	33346
PubChem CID:	7886025
Reduced:	OSN2C9H10 (2)
Stoich.:	ABC2D9E10 (2)
Weight, g/mol:	375.125277
ΔH_f, kcal/mol:	-2.15
Dipole, Da:	6.04
IP(EA), eV:	-8.6(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[2-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-11-yl)acetyl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CN(CCC#N)C(=O)CSC1=NC2=C(C3=C(S2)CCC3)C(=O)N1CC=C

DOS

IR

Vibrations