Geometry & MOs

Info

ID:

424661

PubChem CID:

135123540

Reduced:

SO4N7C36H41 (1)

Stoich.:

AB4C7D36E41 (1)

Weight, g/mol:

412.145678

ΔHf, kcal/mol:

-31.72

Dipole, Da:

9.31

IP(EA), eV:

 -9.06(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(7-cyclopropyl-2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)-2-methoxybenzenesulfonamide

Drug info:

PubChemData

Smile

CC[C@@H]1CN(S(=O)(=O)C2=CC=CC=C2O1)CC3=C(C=CC(=C3)[C@@H](C4=C(C5=C(C=C4)N(N=N5)CC)C)C(C)(C)NC(=O)C6=CN=CN=C6)C

DOS

IR

Vibrations