Geometry & MOs

Info

ID:	190089
PubChem CID:	77952532
Reduced:	ClN3O3C21H24 (1)
Stoich.:	AB3C3D21E24 (1)
Weight, g/mol:	417.181919
ΔH_f, kcal/mol:	-109.2
Dipole, Da:	5.76
IP(EA), eV:	-9.35(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-3-[ethyl(oxan-4-yl)amino]-2-methyl-N-[(4-methyl-2-oxo-3H-pyridin-3-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=O)C1CNC(=O)C2=C(C(=CC(=C2)Cl)N3CCCCC3=O)C)C

DOS

IR

Vibrations