Geometry & MOs

Info

ID:

90427

PubChem CID:

49969604

Reduced:

O5N6C33H44 (1)

Stoich.:

A5B6C33D44 (1)

Weight, g/mol:

712.374847

ΔHf, kcal/mol:

-205.83

Dipole, Da:

6.38

IP(EA), eV:

 -8.96(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-[(2-fluoro-4-methylphenyl)carbamoyl]-6-methylanilino]-3-oxopropyl]-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=C(C=C(C=C4)C(=O)N)C

DOS

IR

Vibrations