Geometry & MOs

Info

ID:	107679
PubChem CID:	50214650
Reduced:	BrO3N4C28H37 (1)
Stoich.:	AB3C4D28E37 (1)
Weight, g/mol:	478.294391
ΔH_f, kcal/mol:	-126.79
Dipole, Da:	4.89
IP(EA), eV:	-9.08(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-(1-phenylethyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=C(C=C(C=C3C)Br)C)C

DOS

IR

Vibrations