Geometry & MOs

Info

ID:	53279
PubChem CID:	14710054
Reduced:	SC23H30 (2)
Stoich.:	AB23C30 (2)
Weight, g/mol:	206.094294
ΔH_f, kcal/mol:	-16.61
Dipole, Da:	0.99
IP(EA), eV:	-8.46(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-hydroxy-4-methyl-2-phenylpent-4-enoic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC2=C(CC3=C(CSCC4=C(CC5=C(CSC2)C=C(C=C5)C(C)(C)C)C=CC(=C4)C(C)(C)C)C=C(C=C3)C(C)(C)C)C=C1

DOS

IR

Vibrations