Geometry & MOs

Info

ID:	85773
PubChem CID:	49879007
Reduced:	SN4O6C21H22 (1)
Stoich.:	AB4C6D21E22 (1)
Weight, g/mol:	367.135448
ΔH_f, kcal/mol:	-170.67
Dipole, Da:	3.74
IP(EA), eV:	-8.8(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[benzyl(methyl)amino]ethyl]-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC5=C(C=C4)NC(=O)CC(=O)N5

DOS

IR

Vibrations