Geometry & MOs

Info

ID:	195159
PubChem CID:	78646105
Reduced:	SN2O5C18H26 (1)
Stoich.:	AB2C5D18E26 (1)
Weight, g/mol:	305.064785
ΔH_f, kcal/mol:	-203.04
Dipole, Da:	6.05
IP(EA), eV:	-8.85(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyanoethyl 2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetate

Drug info:

PubChemData

Smile

CCOC(=O)C(CN1CCCC1C2=CC=CS2)(C(=O)OCC)NC(=O)C

DOS

IR

Vibrations