Geometry & MOs

Info

ID:

97840

PubChem CID:

50035753

Reduced:

F2O4N5C36H41 (1)

Stoich.:

A2B4C5D36E41 (1)

Weight, g/mol:

647.291926

ΔHf, kcal/mol:

-219.76

Dipole, Da:

4.92

IP(EA), eV:

 -9.24(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[2-methyl-5-(morpholine-4-carbonyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCCCC2)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=C(C=CC(=C5)F)F)C

DOS

IR

Vibrations