Geometry & MOs

Info

ID:	364796
PubChem CID:	127316137
Reduced:	SO3N5C16H25 (1)
Stoich.:	AB3C5D16E25 (1)
Weight, g/mol:	385.193632
ΔH_f, kcal/mol:	-98.59
Dipole, Da:	6.08
IP(EA), eV:	-9.05(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-2-phenyl-2-thiomorpholin-4-ylethanone

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=NC=CN2)C(=O)CSCC(=O)N3CCOCC3

DOS

IR

Vibrations