Geometry & MOs

Info

ID:	281025
PubChem CID:	103852443
Reduced:	NOC13H21 (1)
Stoich.:	ABC13D21 (1)
Weight, g/mol:	282.067428
ΔH_f, kcal/mol:	-53.73
Dipole, Da:	3.21
IP(EA), eV:	-8.68(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-N-methyl-3-nitro-N-(thiolan-3-yl)benzamide

Drug info:

PubChemData

Smile

CC[C@H](C1=CC=CC=C1OC(C)(C)C)N

DOS

IR

Vibrations