Geometry & MOs

Info

ID:

113433

PubChem CID:

50445265

Reduced:

F2O4N5C38H45 (1)

Stoich.:

A2B4C5D38E45 (1)

Weight, g/mol:

778.385412

ΔHf, kcal/mol:

-238.38

Dipole, Da:

6.84

IP(EA), eV:

 -8.86(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[4-[(2-methoxybenzoyl)amino]-3-methylanilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC=CC(=C2NC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC(=C4C)C(=O)NC5=C(C=CC=C5F)F)C

DOS

IR

Vibrations