Geometry & MOs

Info

ID:	150489
PubChem CID:	53790181
Reduced:	ClSN3O3C17H18 (1)
Stoich.:	ABC3D3E17F18 (1)
Weight, g/mol:	347.111735
ΔH_f, kcal/mol:	-81.51
Dipole, Da:	9.06
IP(EA), eV:	-8.36(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[4-[(5-nitrofuran-2-carbonyl)amino]phenyl]carbamate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1C2=CC(=C(C=C2)CC(=O)N)NC(=S)N)OC)Cl

DOS

IR

Vibrations