Geometry & MOs

Info

ID:	356597
PubChem CID:	127291823
Reduced:	N3O4C15H25 (1)
Stoich.:	A3B4C15D25 (1)
Weight, g/mol:	375.161663
ΔH_f, kcal/mol:	-195.79
Dipole, Da:	2.9
IP(EA), eV:	-8.84(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3a-[4-(2-hydroxybutyl)piperazine-1-carbonyl]-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazol-1-one

Drug info:

PubChemData

Smile

CCC(CN1CCN(CC1)C(=O)CCN2C(=O)CCC2=O)O

DOS

IR

Vibrations