Geometry & MOs

Info

ID:	110519
PubChem CID:	50328473
Reduced:	BrO4N5C29H38 (1)
Stoich.:	AB4C5D29E38 (1)
Weight, g/mol:	550.290368
ΔH_f, kcal/mol:	-161.07
Dipole, Da:	8.02
IP(EA), eV:	-8.9(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[1-oxo-1-[4-(propylcarbamoyl)anilino]propan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)CNC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)NC(C)C)Br

DOS

IR

Vibrations