Geometry & MOs

Info

ID:	431545
PubChem CID:	135171633
Reduced:	N2O4C21H32 (1)
Stoich.:	A2B4C21D32 (1)
Weight, g/mol:	189.045964
ΔH_f, kcal/mol:	-113.38
Dipole, Da:	6.89
IP(EA), eV:	-8.45(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,4R,5S)-4,5-dimethyl-2-oxooxolan-3-yl]carbamothioic S-acid

Drug info:

PubChemData

Smile

CC(C)CN(C1CCCCC1)C2=C(C=C(C=C2)C(C)(C)C(=O)OC)[N+](=O)[O-]

DOS

IR

Vibrations