Geometry & MOs

Info

ID:

95046

PubChem CID:

50006007

Reduced:

ClO5N6C30H39 (1)

Stoich.:

AB5C6D30E39 (1)

Weight, g/mol:

610.267046

ΔHf, kcal/mol:

-217.73

Dipole, Da:

4.13

IP(EA), eV:

 -8.89(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=C(C=C1)Cl)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC)C

DOS

IR

Vibrations