Geometry & MOs

Info

ID:

118458

PubChem CID:

50643595

Reduced:

ClO5N6C31H39 (1)

Stoich.:

AB5C6D31E39 (1)

Weight, g/mol:

607.292532

ΔHf, kcal/mol:

-205.01

Dipole, Da:

7.81

IP(EA), eV:

 -9.07(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=CC=C4C(=O)N

DOS

IR

Vibrations