Geometry & MOs

Info

ID:

118432

PubChem CID:

50643358

Reduced:

ClN6O6C34H45 (1)

Stoich.:

AB6C6D34E45 (1)

Weight, g/mol:

686.275024

ΔHf, kcal/mol:

-254.53

Dipole, Da:

2.86

IP(EA), eV:

 -8.84(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[2-chloro-5-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[4-chloro-3-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCC4)OC

DOS

IR

Vibrations