Geometry & MOs

Info

ID:

110192

PubChem CID:

50315496

Reduced:

FN6O6C36H43 (1)

Stoich.:

AB6C6D36E43 (1)

Weight, g/mol:

716.369761

ΔHf, kcal/mol:

-263.28

Dipole, Da:

1.15

IP(EA), eV:

 -8.71(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[5-(diethylcarbamoyl)-2-methoxyanilino]-3-oxopropyl]-1-[1-[4-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations