Geometry & MOs

Info

ID:	424147
PubChem CID:	135121489
Reduced:	SO2C18H30 (1)
Stoich.:	AB2C18D30 (1)
Weight, g/mol:	309.084852
ΔH_f, kcal/mol:	-123.27
Dipole, Da:	3.65
IP(EA), eV:	-8.24(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-7-hydroxy-2-oxochromene-3-carboxamide

Drug info:

PubChemData

Smile

CCCCSC1=C(C=C(C(=C1O)O)C(C)(C)C)C(C)(C)C

DOS

IR

Vibrations