Geometry & MOs

Info

ID:

116350

PubChem CID:

50557427

Reduced:

ClN5O5C33H38 (1)

Stoich.:

AB5C5D33E38 (1)

Weight, g/mol:

708.283839

ΔHf, kcal/mol:

-173.59

Dipole, Da:

5.7

IP(EA), eV:

 -8.36(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]-N-[3-[2-fluoro-5-[(4-methoxybenzoyl)amino]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=CC(=C(C=C3)NC(=O)C4=CC=C(C=C4)OC)C)Cl

DOS

IR

Vibrations