Geometry & MOs

Info

ID:

97725

PubChem CID:

50034214

Reduced:

F3O5N6C33H35 (1)

Stoich.:

A3B5C6D33E35 (1)

Weight, g/mol:

746.283981

ΔHf, kcal/mol:

-305.39

Dipole, Da:

9.53

IP(EA), eV:

 -8.84(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-[4-fluoro-3-[[2-(4-fluorophenyl)acetyl]amino]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations