Geometry & MOs

Info

ID:

113127

PubChem CID:

50431576

Reduced:

FN3O3C20H24 (2)

Stoich.:

AB3C3D20E24 (2)

Weight, g/mol:

706.329039

ΔHf, kcal/mol:

-309.56

Dipole, Da:

8.16

IP(EA), eV:

 -8.89(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-[(2,5-difluorophenyl)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

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)OC)NC(=O)C(C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC(=C4C)C(=O)NC5=C(C=CC(=C5)F)F

DOS

IR

Vibrations