Geometry & MOs

Info

ID:

94757

PubChem CID:

50003631

Reduced:

SO4N7C28H39 (1)

Stoich.:

AB4C7D28E39 (1)

Weight, g/mol:

591.34207

ΔHf, kcal/mol:

-137.25

Dipole, Da:

4.25

IP(EA), eV:

 -8.86(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=NN=C(S4)C

DOS

IR

Vibrations