Geometry & MOs

Info

ID:

98466

PubChem CID:

50044388

Reduced:

ClFO4N5C32H35 (1)

Stoich.:

ABC4D5E32F35 (1)

Weight, g/mol:

678.297739

ΔHf, kcal/mol:

-184.89

Dipole, Da:

9.21

IP(EA), eV:

 -8.61(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[1-[4-methoxy-3-(propanoylamino)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)C)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=C(C=CC(=C4)Cl)C

DOS

IR

Vibrations