Geometry & MOs

Info

ID:	95277
PubChem CID:	50007684
Reduced:	ClN5O5C28H34 (1)
Stoich.:	AB5C5D28E34 (1)
Weight, g/mol:	533.300205
ΔH_f, kcal/mol:	-184.56
Dipole, Da:	2.78
IP(EA), eV:	-9.05(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)NC3=C(C=CC(=C3)C(=O)N4CCOCC4)Cl

DOS

IR

Vibrations