Geometry & MOs

Info

ID:

113314

PubChem CID:

50439516

Reduced:

FO5N6C37H45 (1)

Stoich.:

AB5C6D37E45 (1)

Weight, g/mol:

644.312247

ΔHf, kcal/mol:

-236.19

Dipole, Da:

7.52

IP(EA), eV:

 -9.1(-0.62)

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-[3-(methylcarbamoyl)anilino]-3-oxopropyl]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=C4C(=O)NC(C)C)C

DOS

IR

Vibrations