Geometry & MOs

Info

ID:

110452

PubChem CID:

50325153

Reduced:

FN5O5C34H40 (1)

Stoich.:

AB5C5D34E40 (1)

Weight, g/mol:

686.359197

ΔHf, kcal/mol:

-213.84

Dipole, Da:

8.53

IP(EA), eV:

 -8.72(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[3-methyl-4-(2-methylbutanoylamino)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)F)NC(=O)C4=CC(=CC=C4)OC)C(=O)NC(C)C

DOS

IR

Vibrations