Geometry & MOs

Info

ID:	121580
PubChem CID:	50774071
Reduced:	FSN3O4H16C20 (1)
Stoich.:	ABC3D4E16F20 (1)
Weight, g/mol:	353.131031
ΔH_f, kcal/mol:	-120.85
Dipole, Da:	3.74
IP(EA), eV:	-8.36(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-1-(8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)NC(=O)CN2C=NC3=C(C2=O)SC4=CC=CC(=C43)F

DOS

IR

Vibrations