Geometry & MOs

Info

ID:

108438

PubChem CID:

50245175

Reduced:

F2O5N6C42H46 (1)

Stoich.:

A2B5C6D42E46 (1)

Weight, g/mol:

682.248202

ΔHf, kcal/mol:

-252.67

Dipole, Da:

7.81

IP(EA), eV:

 -8.91(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-chloro-5-(propylcarbamoyl)anilino]-2-oxoethyl]-1-[2-[4-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)NC(=O)C5=CC=CC=C5C)F)C

DOS

IR

Vibrations