Geometry & MOs

Info

ID:

90709

PubChem CID:

49971649

Reduced:

N5O5C38H53 (1)

Stoich.:

A5B5C38D53 (1)

Weight, g/mol:

657.332648

ΔHf, kcal/mol:

-223.49

Dipole, Da:

11.35

IP(EA), eV:

 -8.84(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(4-fluorophenyl)carbamoyl]-2-methoxyphenyl]-1-[1-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCCC5C)OC

DOS

IR

Vibrations