Geometry & MOs

Info

ID:

118040

PubChem CID:

50625689

Reduced:

ClO5N6C30H39 (1)

Stoich.:

AB5C6D30E39 (1)

Weight, g/mol:

680.308911

ΔHf, kcal/mol:

-211.27

Dipole, Da:

3.16

IP(EA), eV:

 -9.05(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-(5-carbamoyl-2-chloroanilino)-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[4-(cyclohexanecarbonylamino)-3-methoxyphenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=C(C=CC(=C3)C(=O)N)C)Cl

DOS

IR

Vibrations