Geometry & MOs

Info

ID:	183333
PubChem CID:	77009250
Reduced:	N2O2S2C13H16 (1)
Stoich.:	A2B2C2D13E16 (1)
Weight, g/mol:	285.205242
ΔH_f, kcal/mol:	-30.0
Dipole, Da:	3.68
IP(EA), eV:	-9.16(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-ethylpentan-2-yl)-4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)OCCN2C(=O)C3C(=NC2=S)C=CS3

DOS

IR

Vibrations