Geometry & MOs

Info

ID:	119047
PubChem CID:	50668594
Reduced:	ClN5O5C33H42 (1)
Stoich.:	AB5C5D33E42 (1)
Weight, g/mol:	500.219033
ΔH_f, kcal/mol:	-211.62
Dipole, Da:	10.36
IP(EA), eV:	-9.15(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-(4-ethoxyphenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC=CC=C2NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)N5CCOCC5)Cl

DOS

IR

Vibrations