Geometry & MOs

Info

ID:

95267

PubChem CID:

50007630

Reduced:

ClO5N6C34H45 (1)

Stoich.:

AB5C6D34E45 (1)

Weight, g/mol:

720.376597

ΔHf, kcal/mol:

-231.94

Dipole, Da:

5.29

IP(EA), eV:

 -8.71(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[4-chloro-3-(cyclohexanecarbonylamino)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=C(C=C4)Cl)NC(=O)C

DOS

IR

Vibrations