Geometry & MOs

Info

ID:	105113
PubChem CID:	50106399
Reduced:	BrO4N5C27H34 (1)
Stoich.:	AB4C5D27E34 (1)
Weight, g/mol:	493.268905
ΔH_f, kcal/mol:	-162.92
Dipole, Da:	9.37
IP(EA), eV:	-9.01(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[3-oxo-3-(1-phenylethylamino)propyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)N)C)C)Br

DOS

IR

Vibrations