Geometry & MOs

Info

ID:	300435
PubChem CID:	121281487
Reduced:	SN3O5C20H25 (1)
Stoich.:	AB3C5D20E25 (1)
Weight, g/mol:	428.079055
ΔH_f, kcal/mol:	-169.31
Dipole, Da:	5.53
IP(EA), eV:	-8.67(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]carbamoyl]pyridin-2-yl] hydrogen carbonate

Drug info:

PubChemData

Smile

CC1=NOC(=N1)C2=C(SC3=C2CCCCC3)NC(=O)C4=CCCCC4.C(=O)(O)O

DOS

IR

Vibrations