Geometry & MOs

Info

ID:	280993
PubChem CID:	103852339
Reduced:	BrNSO2C12H14 (1)
Stoich.:	ABCD2E12F14 (1)
Weight, g/mol:	253.077265
ΔH_f, kcal/mol:	-66.67
Dipole, Da:	2.18
IP(EA), eV:	-8.94(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dihydroxy-N-methyl-N-(thiolan-3-yl)benzamide

Drug info:

PubChemData

Smile

CN(C1CCSC1)C(=O)C2=C(C=CC(=C2)Br)O

DOS

IR

Vibrations