Geometry & MOs

Info

ID:

119801

PubChem CID:

50702427

Reduced:

ClO5N6C34H45 (1)

Stoich.:

AB5C6D34E45 (1)

Weight, g/mol:

720.376597

ΔHf, kcal/mol:

-212.45

Dipole, Da:

11.86

IP(EA), eV:

 -8.86(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[5-(butan-2-ylcarbamoyl)-2-chloroanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[5-(cyclohexylcarbamoyl)-2-methylphenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=CC(=C3)C(=O)N4CCCCC4

DOS

IR

Vibrations