Geometry & MOs

Info

ID:

113306

PubChem CID:

50439225

Reduced:

FN5O5C35H40 (1)

Stoich.:

AB5C5D35E40 (1)

Weight, g/mol:

615.322083

ΔHf, kcal/mol:

-220.93

Dipole, Da:

9.2

IP(EA), eV:

 -8.77(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[3-oxo-3-(1-phenylethylamino)propyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)NC(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC=CC(=C4)C(=O)C)C

DOS

IR

Vibrations