Geometry & MOs

Info

ID:

111041

PubChem CID:

50349597

Reduced:

O5N6C41H54 (1)

Stoich.:

A5B6C41D54 (1)

Weight, g/mol:

714.390497

ΔHf, kcal/mol:

-209.77

Dipole, Da:

9.42

IP(EA), eV:

 -8.51(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[2-methyl-3-(2-methylpropylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC(=C4C)C(=O)NCC(C)C

DOS

IR

Vibrations