Geometry & MOs

Info

ID:	89784
PubChem CID:	49964486
Reduced:	FO2S2N4C18H19 (1)
Stoich.:	AB2C2D4E18F19 (1)
Weight, g/mol:	383.103669
ΔH_f, kcal/mol:	-36.03
Dipole, Da:	2.75
IP(EA), eV:	-9.14(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-[1-(4-chlorophenyl)cyclopropanecarbonyl]-5-methyl-6-oxa-2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one

Drug info:

PubChemData

Smile

COCCN1CCC2=C(C1)C(=O)N3C(=N2)SC(=N3)SCC4=CC(=CC=C4)F

DOS

IR

Vibrations