Geometry & MOs

Info

ID:	184704
PubChem CID:	77194839
Reduced:	SN2O7C20H34 (1)
Stoich.:	AB2C7D20E34 (1)
Weight, g/mol:	508.121453
ΔH_f, kcal/mol:	-322.4
Dipole, Da:	8.53
IP(EA), eV:	-9.23(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[3,5-dimethyl-4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]-[6-(trifluoromethyl)-1-benzothiophen-2-yl]methanone

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C(C)NS(=O)(=O)C)OC.CC(C)CC(C(=O)O)NC(=O)C

DOS

IR

Vibrations