Geometry & MOs

Info

ID:

100305

PubChem CID:

50059762

Reduced:

FN6O6C35H41 (1)

Stoich.:

AB6C6D35E41 (1)

Weight, g/mol:

738.334125

ΔHf, kcal/mol:

-244.83

Dipole, Da:

5.65

IP(EA), eV:

 -9.14(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[2-[3-[[2-(4-fluorophenyl)acetyl]amino]-4-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)C)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=C(C=CC(=C4)C(=O)NC)OC

DOS

IR

Vibrations