Geometry & MOs

Info

ID:

90246

PubChem CID:

49967894

Reduced:

F3O4N5C32H40 (1)

Stoich.:

A3B4C5D32E40 (1)

Weight, g/mol:

710.379183

ΔHf, kcal/mol:

-324.21

Dipole, Da:

8.3

IP(EA), eV:

 -8.88(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-[(3-methoxybenzoyl)amino]-4-methylanilino]-1-oxopropan-2-yl]-1-[2-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC=CC(=C4)C(F)(F)F

DOS

IR

Vibrations