Geometry & MOs

Info

ID:	61732
PubChem CID:	26712231
Reduced:	SN2O5C17H18 (1)
Stoich.:	AB2C5D17E18 (1)
Weight, g/mol:	498.136176
ΔH_f, kcal/mol:	-142.58
Dipole, Da:	3.59
IP(EA), eV:	-8.52(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2H-pyrrol-1-yl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzamide

Drug info:

PubChemData

Smile

CNS(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=CC3=C(C=C2)OCCCO3

DOS

IR

Vibrations