Geometry & MOs

Info

ID:	153882
PubChem CID:	56313216
Reduced:	SN3O4C16H27 (1)
Stoich.:	AB3C4D16E27 (1)
Weight, g/mol:	396.216141
ΔH_f, kcal/mol:	-156.43
Dipole, Da:	7.41
IP(EA), eV:	-9.71(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one

Drug info:

PubChemData

Smile

CCCS(=O)(=O)N1CCC(CC1)NC(=O)C(C)C2=C(ON=C2C)C

DOS

IR

Vibrations