Geometry & MOs

Info

ID:	113052
PubChem CID:	50429902
Reduced:	N5O5C29H39 (1)
Stoich.:	A5B5C29D39 (1)
Weight, g/mol:	585.19507
ΔH_f, kcal/mol:	-189.38
Dipole, Da:	4.47
IP(EA), eV:	-8.42(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-bromoanilino)-2-oxoethyl]-1-[2-[3-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C(=CC=C1)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC=C(C=C3)OC)C

DOS

IR

Vibrations