Geometry & MOs

Info

ID:	159620
PubChem CID:	57288543
Reduced:	NS2O4C21H25 (1)
Stoich.:	AB2C4D21E25 (1)
Weight, g/mol:	423.080826
ΔH_f, kcal/mol:	-130.96
Dipole, Da:	6.61
IP(EA), eV:	-8.91(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(1,3-benzothiazol-2-yl)-1,3-diazepan-1-yl]-3-chloronaphthalene-1,4-dione

Drug info:

PubChemData

Smile

CC(C)C1=CC(=CC(=C1OCC(=O)O)C(C)C)C=CC(=C2C(=O)NC(=S)S2)C

DOS

IR

Vibrations