Geometry & MOs

Info

ID:

111733

PubChem CID:

50378976

Reduced:

N6O6C41H52 (1)

Stoich.:

A6B6C41D52 (1)

Weight, g/mol:

728.369761

ΔHf, kcal/mol:

-221.85

Dipole, Da:

9.68

IP(EA), eV:

 -8.65(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC(=C4C)C(=O)N5CCOCC5)C

DOS

IR

Vibrations