Geometry & MOs

Info

ID:

115699

PubChem CID:

50531481

Reduced:

F2O4N5C33H37 (1)

Stoich.:

A2B4C5D33E37 (1)

Weight, g/mol:

656.308911

ΔHf, kcal/mol:

-231.84

Dipole, Da:

9.6

IP(EA), eV:

 -8.71(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[1-[5-(diethylcarbamoyl)-2-methoxyanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=C(C=C4)F)C)C)F

DOS

IR

Vibrations