Geometry & MOs

Info

ID:	46752
PubChem CID:	10526960
Reduced:	SN3O3C24H27 (1)
Stoich.:	AB3C3D24E27 (1)
Weight, g/mol:	437.188546
ΔH_f, kcal/mol:	2.61
Dipole, Da:	7.75
IP(EA), eV:	-8.25(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]propyl]-1-methyl-6,7-dihydropyrrolo[3,2-c]azepine-4,8-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C[C@H]3[C@@H]([C@@H]2CC4=CNC5=CC=CC=C54)N(OC36CC6)C

DOS

IR

Vibrations