Geometry & MOs

Info

ID:

115901

PubChem CID:

50538072

Reduced:

ClO5N6C32H43 (1)

Stoich.:

AB5C6D32E43 (1)

Weight, g/mol:

724.295152

ΔHf, kcal/mol:

-220.81

Dipole, Da:

3.43

IP(EA), eV:

 -8.93(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(propylcarbamoyl)anilino]-2-oxoethyl]-N-[1-[5-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations