Geometry & MOs

Info

ID:

108410

PubChem CID:

50244133

Reduced:

F3O5N6C40H41 (1)

Stoich.:

A3B5C6D40E41 (1)

Weight, g/mol:

702.354111

ΔHf, kcal/mol:

-288.67

Dipole, Da:

13.8

IP(EA), eV:

 -8.71(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[2-methoxy-5-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=C(C=C2)F)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC=C(C=C4)C(=O)NC5=CC(=C(C=C5)F)F

DOS

IR

Vibrations