Geometry & MOs

Info

ID:

422194

PubChem CID:

135117372

Reduced:

S2N7O9C34H51 (1)

Stoich.:

A2B7C9D34E51 (1)

Weight, g/mol:

388.226312

ΔHf, kcal/mol:

-365.43

Dipole, Da:

8.67

IP(EA), eV:

 -8.93(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(1H-indol-3-yl)-1-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)butan-1-one

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](CN(CC(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)OC)CC(C)C)S(=O)(=O)C3=CC=C(C=C3)NS(=O)(=O)N(C)C)C(C)C

DOS

IR

Vibrations