Geometry & MOs

Info

ID:

116342

PubChem CID:

50557195

Reduced:

Cl2O4N5C28H35 (1)

Stoich.:

A2B4C5D28E35 (1)

Weight, g/mol:

708.263852

ΔHf, kcal/mol:

-160.41

Dipole, Da:

2.84

IP(EA), eV:

 -8.99(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]-N-[3-[3-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations