Geometry & MOs

Info

ID:

120545

PubChem CID:

50732883

Reduced:

ClN5O5C30H38 (1)

Stoich.:

AB5C5D30E38 (1)

Weight, g/mol:

652.313996

ΔHf, kcal/mol:

-192.11

Dipole, Da:

4.65

IP(EA), eV:

 -8.32(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-3-(pyrrolidine-1-carbonyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[2-oxo-2-[2-(propylcarbamoyl)anilino]ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)NC(=O)C2CCCN2C(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC)Cl

DOS

IR

Vibrations