Geometry & MOs

Info

ID:	279927
PubChem CID:	103845753
Reduced:	ClSN2O2C12H17 (1)
Stoich.:	ABC2D2E12F17 (1)
Weight, g/mol:	243.158292
ΔH_f, kcal/mol:	-76.18
Dipole, Da:	3.86
IP(EA), eV:	-9.36(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)oxane-4-carboxamide

Drug info:

PubChemData

Smile

C1COCCC1(C(=O)NCCC2=CC=C(S2)Cl)N

DOS

IR

Vibrations