Geometry & MOs

Info

ID:

107206

PubChem CID:

50195133

Reduced:

F3O4N5C34H42 (1)

Stoich.:

A3B4C5D34E42 (1)

Weight, g/mol:

730.405398

ΔHf, kcal/mol:

-302.8

Dipole, Da:

13.31

IP(EA), eV:

 -8.83(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-(cyclohexylcarbamoyl)-2-methoxyphenyl]-1-[1-[1-[2-methyl-4-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C(=C(C=C5)F)F)F)C

DOS

IR

Vibrations