Geometry & MOs

Info

ID:

116546

PubChem CID:

50565251

Reduced:

Cl2O5N6C34H46 (1)

Stoich.:

A2B5C6D34E46 (1)

Weight, g/mol:

718.304574

ΔHf, kcal/mol:

-243.67

Dipole, Da:

9.82

IP(EA), eV:

 -8.97(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(pyrrolidine-1-carbonyl)anilino]-1-oxopropan-2-yl]-N-[1-[5-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations