Geometry & MOs

Info

ID:	104467
PubChem CID:	50104345
Reduced:	Cl2O4N5C25H29 (1)
Stoich.:	A2B4C5D25E29 (1)
Weight, g/mol:	557.16377
ΔH_f, kcal/mol:	-164.36
Dipole, Da:	6.73
IP(EA), eV:	-9.28(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-bromo-3-methylanilino)-1-oxopropan-2-yl]-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)NC(C)C(=O)NC3=CC(=CC(=C3)Cl)Cl

DOS

IR

Vibrations