Geometry & MOs

Info

ID:	449509
PubChem CID:	135299170
Reduced:	SN3O4C28H39 (1)
Stoich.:	AB3C4D28E39 (1)
Weight, g/mol:	428.209993
ΔH_f, kcal/mol:	-183.34
Dipole, Da:	1.54
IP(EA), eV:	-8.91(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3',6'-bis(dimethylamino)-5-propan-2-ylspiro[2-benzofuran-3,9'-xanthene]-1-one

Drug info:

PubChemData

Smile

CC1=C(SC=C1)C2=CC=C(C=C2)CNC(=O)[C@@H]3CN(C[C@H]3O)C(=O)[C@@H](C(C)(C)C)NC(=O)C(C)(C)C

DOS

IR

Vibrations