Geometry & MOs

Info

ID:

95868

PubChem CID:

50016089

Reduced:

SO4N7C30H43 (1)

Stoich.:

AB4C7D30E43 (1)

Weight, g/mol:

680.345296

ΔHf, kcal/mol:

-136.78

Dipole, Da:

5.47

IP(EA), eV:

 -8.82(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(butan-2-ylcarbamoyl)-4-chlorophenyl]-1-[1-[2-[5-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations