Geometry & MOs

Info

ID:	18699
PubChem CID:	546536
Reduced:	SN2O4C10H14 (1)
Stoich.:	AB2C4D10E14 (1)
Weight, g/mol:	258.067428
ΔH_f, kcal/mol:	-109.47
Dipole, Da:	6.83
IP(EA), eV:	-9.16(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-(5-methyl-3-nitrothiophen-2-yl)carbamate

Drug info:

PubChemData

Smile

CC1=CC(=C(S1)NC(=O)OC(C)(C)C)[N+](=O)[O-]

DOS

IR

Vibrations