Geometry & MOs

Info

ID:	147453
PubChem CID:	53787109
Reduced:	NO3C13H23 (1)
Stoich.:	AB3C13D23 (1)
Weight, g/mol:	236.025563
ΔH_f, kcal/mol:	-129.3
Dipole, Da:	4.54
IP(EA), eV:	-10.52(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-hydroxyphenyl)methyl thiadiazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1CC(CC(C1)(C)C)C(=O)ON=CC(C)O

DOS

IR

Vibrations