Geometry & MOs

Info

ID:

120215

PubChem CID:

50718215

Reduced:

Cl2O4N5C30H39 (1)

Stoich.:

A2B4C5D30E39 (1)

Weight, g/mol:

694.248202

ΔHf, kcal/mol:

-175.96

Dipole, Da:

3.56

IP(EA), eV:

 -8.97(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[2-chloro-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[2-[(3,4-difluorophenyl)carbamoyl]-6-methylphenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC(=C(C=C3)C)Cl

DOS

IR

Vibrations