Geometry & MOs

Info

ID:	56351
PubChem CID:	17425153
Reduced:	SO3N4C19H22 (1)
Stoich.:	AB3C4D19E22 (1)
Weight, g/mol:	487.169641
ΔH_f, kcal/mol:	-24.04
Dipole, Da:	7.17
IP(EA), eV:	-8.55(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazol-2-yl]methyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=NOC(=C2)C)C)C3=CSC(=N3)CC(=O)N4CCOCC4

DOS

IR

Vibrations