Geometry & MOs

Info

ID:	191477
PubChem CID:	78150432
Reduced:	SN3O5C24H25 (1)
Stoich.:	AB3C5D24E25 (1)
Weight, g/mol:	485.156241
ΔH_f, kcal/mol:	-121.43
Dipole, Da:	2.92
IP(EA), eV:	-9.11(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[3-(hydroxymethyl)-5-oxo-4-(pyridin-4-ylmethyl)morpholin-2-yl]phenyl]-4-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CC1=C(SC=N1)CN2C(C(OCC2=O)C3=CC=C(C=C3)NC(=O)COC4=CC=CC=C4)CO

DOS

IR

Vibrations