Geometry & MOs

Info

ID:	62591
PubChem CID:	26724201
Reduced:	SCl2N3O4C21H23 (1)
Stoich.:	AB2C3D4E21F23 (1)
Weight, g/mol:	422.141262
ΔH_f, kcal/mol:	-110.26
Dipole, Da:	9.01
IP(EA), eV:	-8.42(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(2R)-oxolan-2-yl]methyl]-2-[[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]amino]benzamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)NC(=O)/C=C/C3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations