Geometry & MOs

Info

ID:

424577

PubChem CID:

135123200

Reduced:

SO5N7C35H39 (1)

Stoich.:

AB5C7D35E39 (1)

Weight, g/mol:

410.119047

ΔHf, kcal/mol:

-65.99

Dipole, Da:

6.02

IP(EA), eV:

 -8.66(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[1-[(2,4-difluorophenyl)methyl]pyrazol-3-yl]-7-nitrospiro[1H-indole-3,1'-cyclobutane]-2-one

Drug info:

PubChemData

Smile

CC[C@@H]1CN(S(=O)(=O)C2=C(O1)N=CC=C2)CC3=C(C=CC(=C3)[C@H](CC(=O)NC4=CN=C(C=C4)OC)C5=C(C6=C(C=C5)N(N=N6)CC)C)C

DOS

IR

Vibrations