Geometry & MOs

Info

ID:	306090
PubChem CID:	125001626
Reduced:	O2N5C25H29 (1)
Stoich.:	A2B5C25D29 (1)
Weight, g/mol:	427.112126
ΔH_f, kcal/mol:	-5.99
Dipole, Da:	4.97
IP(EA), eV:	-8.51(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-[4-[(2-chlorophenyl)methyl]-6-methylpyridin-2-yl]morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)NC2=CC=CC=C2C(=O)N3CCN([C@@H](C3)C4=CC=CC=C4OC)C)C

DOS

IR

Vibrations