Geometry & MOs

Info

ID:	252541
PubChem CID:	103112127
Reduced:	FIOSN3C13H15 (1)
Stoich.:	ABCDE3F13G15 (1)
Weight, g/mol:	299.122969
ΔH_f, kcal/mol:	-35.33
Dipole, Da:	4.36
IP(EA), eV:	-8.46(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxyethyl 1-[3-(carbamoylamino)-3-oxopropyl]-5-methyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)N1C2=CC(=C(C=C2NC1=S)I)F

DOS

IR

Vibrations