Geometry & MOs

Info

ID:	38063
PubChem CID:	8026731
Reduced:	NSO3C21H23 (1)
Stoich.:	ABC3D21E23 (1)
Weight, g/mol:	369.139865
ΔH_f, kcal/mol:	-91.75
Dipole, Da:	4.48
IP(EA), eV:	-8.54(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CC2=C(O1)C(=CC=C2)OCC(=O)N[C@@H]3CCSC4=CC=CC=C34)C

DOS

IR

Vibrations