Geometry & MOs

Info

ID:	193372
PubChem CID:	78383646
Reduced:	SN4O4H22C27 (1)
Stoich.:	AB4C4D22E27 (1)
Weight, g/mol:	418.167477
ΔH_f, kcal/mol:	-21.91
Dipole, Da:	9.02
IP(EA), eV:	-9.31(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[2-(12-ethyl-9-oxo-5-thia-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,11-trien-10-yl)acetyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C3C=CSC3C(=O)N(C2=O)C4=CC=C(C=C4)CC(=O)NCC5=CC=CO5)C#N

DOS

IR

Vibrations