Geometry & MOs

Info

ID:	112588
PubChem CID:	50412278
Reduced:	BrO4N5C28H36 (1)
Stoich.:	AB4C5D28E36 (1)
Weight, g/mol:	513.214282
ΔH_f, kcal/mol:	-153.52
Dipole, Da:	7.53
IP(EA), eV:	-8.87(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-chloro-2-(methylcarbamoyl)phenyl]-1-[1-[2-methyl-3-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)Br)C(=O)NC(C)C)C(=O)NC

DOS

IR

Vibrations