Geometry & MOs

Info

ID:	362451
PubChem CID:	127307797
Reduced:	S2O3N4C16H26 (1)
Stoich.:	A2B3C4D16E26 (1)
Weight, g/mol:	387.161663
ΔH_f, kcal/mol:	-101.72
Dipole, Da:	9.5
IP(EA), eV:	-9.18(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-hydroxy-2,2-dimethyl-3H-1-benzofuran-6-yl)-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=NC=C(S1)CN2CCN(CC2)C(=O)CN(C)C3CCS(=O)(=O)C3

DOS

IR

Vibrations