Geometry & MOs

Info

ID:	332936
PubChem CID:	127251360
Reduced:	SO2N6C21H26 (1)
Stoich.:	AB2C6D21E26 (1)
Weight, g/mol:	448.191069
ΔH_f, kcal/mol:	9.04
Dipole, Da:	6.96
IP(EA), eV:	-8.7(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-[4-[2-(4-fluorophenyl)acetyl]morpholin-2-yl]-6-methylpyridin-4-yl]-N-methylpyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)CC(=O)NC3=NC(=C(S3)C)C)C4=CN(N=C4)C

DOS

IR

Vibrations