Geometry & MOs

Info

ID:	424545
PubChem CID:	135123073
Reduced:	SN4O6C29H38 (1)
Stoich.:	AB4C6D29E38 (1)
Weight, g/mol:	527.12084
ΔH_f, kcal/mol:	-179.02
Dipole, Da:	13.61
IP(EA), eV:	-9.02(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7'-bromo-1'-[(4-methoxyphenyl)methyl]-5'-(2-phenylpyrazol-3-yl)spiro[cyclopentane-1,3'-indole]-2'-one

Drug info:

PubChemData

Smile

C[C@@H]1CN(S(=O)(=O)C2=CC=CC=C2O1)CC3=C(C=CC(=C3)C(C(C)(C)C(=O)O)OCC4=CN(N=N4)CC(C)C)C

DOS

IR

Vibrations