Geometry & MOs

Info

ID:

45081

PubChem CID:

10507830

Reduced:

N2O3C17H21 (2)

Stoich.:

A2B3C17D21 (2)

Weight, g/mol:

602.223277

ΔHf, kcal/mol:

-244.85

Dipole, Da:

3.88

IP(EA), eV:

 -8.51(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2S)-3-(3-cyanophenyl)-1-(4-methylsulfonylpiperazin-1-yl)-1-oxopropan-2-yl]-2,2,5,7,8-pentamethyl-3,4-dihydrochromene-6-sulfonamide

Drug info:

PubChemData

Smile

CCC\1=C(C(=O)N/C1=C\C2=C(C(=C(N2)CC3=C(C(=C(N3)/C=C\4/C(=C(C(=O)N4)C)CC)C)[C@H](C)CC(=O)O)CCC(=O)O)C)C

DOS

IR

Vibrations