Geometry & MOs

Info

ID:	228666
PubChem CID:	87565509
Reduced:	NSO5C9H17 (1)
Stoich.:	ABC5D9E17 (1)
Weight, g/mol:	164.047344
ΔH_f, kcal/mol:	-220.22
Dipole, Da:	4.46
IP(EA), eV:	-8.52(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-dihydroxy-5-methylphenyl)ethenone

Drug info:

PubChemData

Smile

CC(C)S(=O)CC[C@@H](C(=O)OC)NC(=O)O

DOS

IR

Vibrations