Geometry & MOs

Info

ID:	440323
PubChem CID:	135230270
Reduced:	FSO2N8H19C23 (1)
Stoich.:	ABC2D8E19F23 (1)
Weight, g/mol:	322.189257
ΔH_f, kcal/mol:	81.18
Dipole, Da:	7.04
IP(EA), eV:	-9.48(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-(6-ethylpyridin-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

Drug info:

PubChemData

Smile

CN1C(=NN=N1)N2C3=C(C=CC(=C3)F)N=C2SCC4=NC(=CC=C4)NC(=O)COC5=CC=CC=C5

DOS

IR

Vibrations