Geometry & MOs

Info

ID:

106311

PubChem CID:

50156471

Reduced:

SO4N7C29H41 (1)

Stoich.:

AB4C7D29E41 (1)

Weight, g/mol:

666.352969

ΔHf, kcal/mol:

-149.75

Dipole, Da:

9.48

IP(EA), eV:

 -8.77(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-methyl-5-(phenylcarbamoyl)phenyl]-1-[1-[2-[2-methyl-4-(propylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations