Geometry & MOs

Info

ID:	121108
PubChem CID:	50756151
Reduced:	FSO2N3C24H26 (1)
Stoich.:	ABC2D3E24F26 (1)
Weight, g/mol:	449.213698
ΔH_f, kcal/mol:	-73.43
Dipole, Da:	4.68
IP(EA), eV:	-8.67(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-11-methyl-9-oxo-10-(4-phenylbutan-2-yl)-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide

Drug info:

PubChemData

Smile

CC1(CN2C3=C(C=C2C(=O)N1C4=CC(=CC=C4)F)SC=C3)C(=O)NC5CCCCCC5

DOS

IR

Vibrations