Geometry & MOs

Info

ID:	368937
PubChem CID:	127330956
Reduced:	SO2N4C20H26 (1)
Stoich.:	AB2C4D20E26 (1)
Weight, g/mol:	308.105545
ΔH_f, kcal/mol:	-45.36
Dipole, Da:	5.96
IP(EA), eV:	-8.57(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]urea

Drug info:

PubChemData

Smile

C1CCN(C(C1)CNC(=O)NC2=NC3=C(S2)COCC3)CC4=CC=CC=C4

DOS

IR

Vibrations