Geometry & MOs

Info

ID:	112477
PubChem CID:	50408818
Reduced:	SO4N5C29H39 (1)
Stoich.:	AB4C5D29E39 (1)
Weight, g/mol:	563.347155
ΔH_f, kcal/mol:	-156.15
Dipole, Da:	6.56
IP(EA), eV:	-8.32(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[3-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[2-(diethylcarbamoyl)-6-methylphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC(=CC=C3)SC)C(=O)NC

DOS

IR

Vibrations