Geometry & MOs

Info

ID:	38062
PubChem CID:	8026728
Reduced:	OSN6C11H12 (1)
Stoich.:	ABC6D11E12 (1)
Weight, g/mol:	369.139865
ΔH_f, kcal/mol:	78.14
Dipole, Da:	7.04
IP(EA), eV:	-9.02(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=NC2=NC(=NN12)SCC3=NN=C(O3)C)C

DOS

IR

Vibrations