Geometry & MOs

Info

ID:

107285

PubChem CID:

50197373

Reduced:

FO5N6C40H49 (1)

Stoich.:

AB5C6D40E49 (1)

Weight, g/mol:

654.293261

ΔHf, kcal/mol:

-244.18

Dipole, Da:

8.77

IP(EA), eV:

 -8.81(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(2-carbamoyl-4-chloroanilino)-3-methyl-1-oxobutan-2-yl]-1-[1-[2-methyl-4-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=CC=C4C(=O)NC5=CC=C(C=C5)F)C)C

DOS

IR

Vibrations