Geometry & MOs

Info

ID:	364814
PubChem CID:	127316222
Reduced:	ClON4C20H25 (1)
Stoich.:	ABC4D20E25 (1)
Weight, g/mol:	383.141596
ΔH_f, kcal/mol:	-7.53
Dipole, Da:	4.71
IP(EA), eV:	-9.04(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)(C2=CC(=CC=C2)Cl)C(=O)N3CCN(CC3)CC4=NC=CN4

DOS

IR

Vibrations