Geometry & MOs

Info

ID:

118402

PubChem CID:

50641778

Reduced:

Cl2O4N5C27H31 (1)

Stoich.:

A2B4C5D27E31 (1)

Weight, g/mol:

595.292532

ΔHf, kcal/mol:

-149.2

Dipole, Da:

6.39

IP(EA), eV:

 -9.31(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(pyrrolidine-1-carbonyl)anilino]-1-oxopropan-2-yl]-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)C(=O)N2CCCC2)Cl)N3CCC(CC3)C(=O)NC4=C(C=CC(=C4)C(=O)N)Cl

DOS

IR

Vibrations