Geometry & MOs

Info

ID:	105427
PubChem CID:	50107184
Reduced:	BrO4N5C27H34 (1)
Stoich.:	AB4C5D27E34 (1)
Weight, g/mol:	537.295119
ΔH_f, kcal/mol:	-158.37
Dipole, Da:	4.44
IP(EA), eV:	-9.0(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[1-(4-ethoxyanilino)-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC=CC=C3Br

DOS

IR

Vibrations