Geometry & MOs

Info

ID:	332073
PubChem CID:	127250359
Reduced:	SN3O3C22H23 (1)
Stoich.:	AB3C3D22E23 (1)
Weight, g/mol:	422.141262
ΔH_f, kcal/mol:	-45.06
Dipole, Da:	3.84
IP(EA), eV:	-8.99(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-[4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]morpholin-2-yl]pyridin-3-yl]benzamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CC(=O)N2CCOC(C2)C3=NC=C(C=C3)C4=CC(=CC=C4)OC

DOS

IR

Vibrations