Geometry & MOs

Info

ID:	109732
PubChem CID:	50295549
Reduced:	BrO4N5C26H32 (1)
Stoich.:	AB4C5D26E32 (1)
Weight, g/mol:	569.276883
ΔH_f, kcal/mol:	-140.05
Dipole, Da:	8.14
IP(EA), eV:	-9.1(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-chloro-2-(diethylcarbamoyl)phenyl]-1-[1-[3-(dimethylcarbamoyl)-2-methylanilino]-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)N)C(=O)N(C)C

DOS

IR

Vibrations