Geometry & MOs

Info

ID:	331714
PubChem CID:	127249797
Reduced:	FO2N6C21H21 (1)
Stoich.:	AB2C6D21E21 (1)
Weight, g/mol:	398.11611
ΔH_f, kcal/mol:	-22.81
Dipole, Da:	3.02
IP(EA), eV:	-8.79(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-5-[2-[6-(1,3,4-thiadiazol-2-ylamino)pyridin-2-yl]morpholine-4-carbonyl]pyridin-2-one

Drug info:

PubChemData

Smile

CNC1=NC=CC(=C1)C(=O)N2CCOC(C2)C3=NC(=CC=C3)NC4=NC=C(C=C4)F

DOS

IR

Vibrations