Geometry & MOs

Info

ID:

95171

PubChem CID:

50006756

Reduced:

SO4N7C31H45 (1)

Stoich.:

AB4C7D31E45 (1)

Weight, g/mol:

726.390497

ΔHf, kcal/mol:

-153.15

Dipole, Da:

10.62

IP(EA), eV:

 -8.82(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[3-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylphenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=NN=C(S4)C(C)C

DOS

IR

Vibrations