Geometry & MOs

Info

ID:	169419
PubChem CID:	75103018
Reduced:	SO2F3N5H18C19 (1)
Stoich.:	AB2C3D5E18F19 (1)
Weight, g/mol:	399.136511
ΔH_f, kcal/mol:	-173.85
Dipole, Da:	2.17
IP(EA), eV:	-8.56(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methoxypyrimidin-2-yl)-2-[6-(morpholin-4-ylmethyl)-3H-1,3-benzothiazol-2-ylidene]acetamide

Drug info:

PubChemData

Smile

C1COCCN1CC2=CC3=C(C=C2)NC(=C(C4=NC=CC(=N4)C(F)(F)F)C(=O)N)S3

DOS

IR

Vibrations