Geometry & MOs

Info

ID:

118756

PubChem CID:

50657888

Reduced:

Cl2O5N6C34H42 (1)

Stoich.:

A2B5C6D34E42 (1)

Weight, g/mol:

736.295152

ΔHf, kcal/mol:

-210.78

Dipole, Da:

5.83

IP(EA), eV:

 -9.1(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[2-chloro-5-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylphenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C=C(C=C2)Cl)NC(=O)CNC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)N5CCCC5)Cl

DOS

IR

Vibrations