Geometry & MOs

Info

ID:	158105
PubChem CID:	56462989
Reduced:	SN3O3C20H21 (1)
Stoich.:	AB3C3D20E21 (1)
Weight, g/mol:	381.114713
ΔH_f, kcal/mol:	-30.46
Dipole, Da:	1.71
IP(EA), eV:	-8.96(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propylcarbamoyl]benzoate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1OCC(=O)NCCCC2=NC(=CS2)C3=CC=NC=C3

DOS

IR

Vibrations