Geometry & MOs

Info

ID:	368939
PubChem CID:	127330958
Reduced:	O2S2N3C11H15 (1)
Stoich.:	A2B2C3D11E15 (1)
Weight, g/mol:	320.105545
ΔH_f, kcal/mol:	-59.15
Dipole, Da:	4.23
IP(EA), eV:	-8.7(-0.35)
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-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)urea

Drug info:

PubChemData

Smile

C1COCC2=C1N=C(S2)NC(=O)N3CCSCC3

DOS

IR

Vibrations