Geometry & MOs

Info

ID:	331179
PubChem CID:	127248586
Reduced:	ClSO3N4C21H23 (1)
Stoich.:	ABC3D4E21F23 (1)
Weight, g/mol:	448.138068
ΔH_f, kcal/mol:	-38.69
Dipole, Da:	2.26
IP(EA), eV:	-9.3(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[5-[2-(3,4-difluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C(=O)N2CCOC(C2)C3=NN(C(=C3)CCOC4=CC(=CC=C4)Cl)C

DOS

IR

Vibrations