Geometry & MOs

Info

ID:

90076

PubChem CID:

49966187

Reduced:

SO4N7C30H41 (1)

Stoich.:

AB4C7D30E41 (1)

Weight, g/mol:

672.399919

ΔHf, kcal/mol:

-139.69

Dipole, Da:

13.34

IP(EA), eV:

 -8.82(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(diethylcarbamoyl)phenyl]-1-[1-[1-[2-methyl-5-(piperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=NN=C(S5)C

DOS

IR

Vibrations