Geometry & MOs

Info

ID:	424735
PubChem CID:	135123741
Reduced:	N4O4H28C33 (1)
Stoich.:	A4B4C28D33 (1)
Weight, g/mol:	551.224263
ΔH_f, kcal/mol:	-9.99
Dipole, Da:	2.7
IP(EA), eV:	-8.76(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2C3=C(C=C(C=C3OC4=CC(=O)NC=C4)C5=CC=NN5C6=CC=CC=C6)C7(C2=O)CCC7

DOS

IR

Vibrations