Geometry & MOs

Info

ID:	331718
PubChem CID:	127249801
Reduced:	O3N5C22H25 (1)
Stoich.:	A3B5C22D25 (1)
Weight, g/mol:	438.093266
ΔH_f, kcal/mol:	-14.84
Dipole, Da:	4.9
IP(EA), eV:	-8.81(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C(C)C)C(=O)N2CCOC(C2)C3=NC(=CC=C3)NC4=CC=CC=N4

DOS

IR

Vibrations