Geometry & MOs

Info

ID:	351109
PubChem CID:	127279667
Reduced:	SN2O3C18H18 (1)
Stoich.:	AB2C3D18E18 (1)
Weight, g/mol:	373.134779
ΔH_f, kcal/mol:	-81.15
Dipole, Da:	7.48
IP(EA), eV:	-8.2(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2=CC=C(C=C2)NC(=O)C3=CC4=C(S3)CCOC4

DOS

IR

Vibrations