Geometry & MOs

Info

ID:	225593
PubChem CID:	85856289
Reduced:	NO2H15C18 (2)
Stoich.:	AB2C15D18 (2)
Weight, g/mol:	160.073559
ΔH_f, kcal/mol:	-56.45
Dipole, Da:	3.5
IP(EA), eV:	-8.36(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4,5-dihydroxy-2-methylpent-2-enoate

Drug info:

PubChemData

Smile

CC1=CC=CC(C1=C2CCCCC2)C3=CC(=C(C=C3)N4C(=O)C5=C(C4=O)C=C(C=C5)C6=CC7=C(C=C6)C(=O)NC7=O)C

DOS

IR

Vibrations