Geometry & MOs

Info

ID:	236858
PubChem CID:	92715084
Reduced:	BrSN2O2H19C21 (1)
Stoich.:	ABC2D2E19F21 (1)
Weight, g/mol:	366.040518
ΔH_f, kcal/mol:	-3.65
Dipole, Da:	4.78
IP(EA), eV:	-9.03(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,9S)-6-chloro-10-(3,4-difluorophenyl)-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(=CC=C1)CN2[C@H](NC3=CC=CC=C3S2(=O)=O)C4=CC=C(C=C4)Br

DOS

IR

Vibrations