Geometry & MOs

Info

ID:	405092
PubChem CID:	135072511
Reduced:	FSN2H9C14 (1)
Stoich.:	ABC2D9E14 (1)
Weight, g/mol:	406.119858
ΔH_f, kcal/mol:	50.78
Dipole, Da:	2.92
IP(EA), eV:	-9.18(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(4-methylphenyl)sulfonyl-(4-nitrophenyl)methyl]carbamate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=N/C2=NC3=C(S2)C=C(C=C3)F

DOS

IR

Vibrations