Geometry & MOs

Info

ID:	111137
PubChem CID:	50353512
Reduced:	O4N5C28H37 (1)
Stoich.:	A4B5C28D37 (1)
Weight, g/mol:	549.331505
ΔH_f, kcal/mol:	-166.78
Dipole, Da:	3.65
IP(EA), eV:	-8.4(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-methyl-3-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]-N-[2-methyl-5-(propylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations