Geometry & MOs

Info

ID:

109124

PubChem CID:

50273617

Reduced:

SO4N7C32H39 (1)

Stoich.:

AB4C7D32E39 (1)

Weight, g/mol:

658.267046

ΔHf, kcal/mol:

-93.46

Dipole, Da:

9.77

IP(EA), eV:

 -8.82(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-carbamoyl-4-chlorophenyl)-1-[1-[1-[2-methyl-4-(phenylcarbamoyl)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=C(C=C4)C(=O)NC5=CC=CC=C5)C

DOS

IR

Vibrations