Geometry & MOs

Info

ID:	67724
PubChem CID:	46507036
Reduced:	O3N5H19C20 (1)
Stoich.:	A3B5C19D20 (1)
Weight, g/mol:	542.165762
ΔH_f, kcal/mol:	37.37
Dipole, Da:	10.36
IP(EA), eV:	-8.29(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanyl-2-thiophen-2-yl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=NOC(=N2)C3=CN(C=N3)CC4=CC=C(C=C4)N)OC

DOS

IR

Vibrations