Geometry & MOs

Info

ID:	112845
PubChem CID:	50422297
Reduced:	Cl2O4N5C29H37 (1)
Stoich.:	A2B4C5D29E37 (1)
Weight, g/mol:	521.300205
ΔH_f, kcal/mol:	-176.23
Dipole, Da:	7.48
IP(EA), eV:	-9.03(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[3-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-(2-carbamoyl-6-methylphenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=CC(=C3)Cl)Cl)C(=O)NC

DOS

IR

Vibrations