Geometry & MOs

Info

ID:	67506
PubChem CID:	46506601
Reduced:	S2N3O3C24H27 (1)
Stoich.:	A2B3C3D24E27 (1)
Weight, g/mol:	350.070069
ΔH_f, kcal/mol:	-93.04
Dipole, Da:	7.58
IP(EA), eV:	-8.52(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-(2,4-difluorophenyl)-4-fluoro-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-11-thione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CSC2=NC3=C(C4=C(S3)CN(CC4)C(=O)C)C(=O)N2CC5CCCO5

DOS

IR

Vibrations