Geometry & MOs

Info

ID:	143098
PubChem CID:	53145841
Reduced:	ClFSO2N4H18C20 (1)
Stoich.:	ABCD2E4F18G20 (1)
Weight, g/mol:	398.121275
ΔH_f, kcal/mol:	-46.59
Dipole, Da:	3.2
IP(EA), eV:	-8.87(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-fluoro-3-methylphenyl)-2-(6-morpholin-4-ylpyridin-3-yl)-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

C1COCCN1C2=NC=C(C=C2)C3=NC(=CS3)C(=O)NCC4=C(C=C(C=C4)F)Cl

DOS

IR

Vibrations