Geometry & MOs

Info

ID:	331953
PubChem CID:	127250239
Reduced:	N4O4C25H28 (1)
Stoich.:	A4B4C25D28 (1)
Weight, g/mol:	443.166748
ΔH_f, kcal/mol:	-81.84
Dipole, Da:	3.84
IP(EA), eV:	-8.32(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methyl-1,3-benzothiazol-6-yl)-[2-[5-[(4-methylphenyl)methyl]pyridin-2-yl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1C(=O)N2CCOC(C2)C3=NC=C(C=C3)CC4=C(C=CC(=C4)OC)OC)C

DOS

IR

Vibrations