Geometry & MOs

Info

ID:

107343

PubChem CID:

50199367

Reduced:

F2N5O5C33H37 (1)

Stoich.:

A2B5C5D33E37 (1)

Weight, g/mol:

714.390497

ΔHf, kcal/mol:

-253.01

Dipole, Da:

5.16

IP(EA), eV:

 -8.51(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[4-[[2-(4-fluorophenyl)acetyl]amino]anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=CC(=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC=CC=C4OC

DOS

IR

Vibrations