Geometry & MOs

Info

ID:

91861

PubChem CID:

49979694

Reduced:

SO5N7C30H41 (1)

Stoich.:

AB5C7D30E41 (1)

Weight, g/mol:

617.321334

ΔHf, kcal/mol:

-165.35

Dipole, Da:

6.11

IP(EA), eV:

 -9.02(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NN=C(S1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)N5CCOCC5)C

DOS

IR

Vibrations