Geometry & MOs

Info

ID:	26934
PubChem CID:	804416
Reduced:	SN2O3H14C18 (1)
Stoich.:	AB2C3D14E18 (1)
Weight, g/mol:	337.05936
ΔH_f, kcal/mol:	-45.59
Dipole, Da:	5.95
IP(EA), eV:	-9.41(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-(4-chlorophenyl)-2-(trifluoromethyl)-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](OC1=O)C2=CC=CC=C2)C(=O)NC3=NC4=CC=CC=C4S3

DOS

IR

Vibrations