Geometry & MOs

Info

ID:	331761
PubChem CID:	127250045
Reduced:	SO2N4C22H24 (1)
Stoich.:	AB2C4D22E24 (1)
Weight, g/mol:	426.152575
ΔH_f, kcal/mol:	-5.77
Dipole, Da:	4.98
IP(EA), eV:	-8.81(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[6-[(2-fluorophenyl)methyl]pyridin-2-yl]morpholin-4-yl]-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)NC)C(=O)N2CCOC(C2)C3=CC=CC(=N3)CC4=CC=CC=C4

DOS

IR

Vibrations