Geometry & MOs

Info

ID:	333062
PubChem CID:	127251486
Reduced:	ClSO2N3C22H22 (1)
Stoich.:	ABC2D3E22F22 (1)
Weight, g/mol:	437.161853
ΔH_f, kcal/mol:	-19.83
Dipole, Da:	2.6
IP(EA), eV:	-9.31(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-amino-4-methylpyrimidin-5-yl)-[2-[4-[(2-chlorophenyl)methyl]-6-methylpyridin-2-yl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)C(=O)C3=C(N=CS3)C)CC4=CC=CC=C4Cl

DOS

IR

Vibrations