Geometry & MOs

Info

ID:	105103
PubChem CID:	50106371
Reduced:	BrO4N5C26H32 (1)
Stoich.:	AB4C5D26E32 (1)
Weight, g/mol:	507.248169
ΔH_f, kcal/mol:	-144.02
Dipole, Da:	4.91
IP(EA), eV:	-9.22(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3-acetylanilino)-3-oxopropyl]-1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=C(C=C3)Br)C

DOS

IR

Vibrations