Geometry & MOs

Info

ID:	196761
PubChem CID:	78875064
Reduced:	SF3O3N4C18H21 (1)
Stoich.:	AB3C3D4E18F21 (1)
Weight, g/mol:	435.032351
ΔH_f, kcal/mol:	-224.66
Dipole, Da:	9.16
IP(EA), eV:	-9.12(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dichloro-N-[2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)carbamoylamino]ethyl]benzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(CNC(=O)NC2=NC(=CS2)C(F)(F)F)N3CCOCC3

DOS

IR

Vibrations