Geometry & MOs

Info

ID:	110652
PubChem CID:	50333817
Reduced:	BrClO4N5C29H37 (1)
Stoich.:	ABC4D5E29F37 (1)
Weight, g/mol:	535.315855
ΔH_f, kcal/mol:	-169.25
Dipole, Da:	9.35
IP(EA), eV:	-8.92(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methyl-4-(propan-2-ylcarbamoyl)phenyl]-1-[2-[2-methyl-3-(propylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=C(C=C3)Br)Cl)C(=O)NCC(C)C

DOS

IR

Vibrations