Geometry & MOs

Info

ID:	380981
PubChem CID:	134971598
Reduced:	PSN2C16H32 (1)
Stoich.:	ABC2D16E32 (1)
Weight, g/mol:	208.073559
ΔH_f, kcal/mol:	-84.53
Dipole, Da:	5.05
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.766463
Charge, e:	0

Chem-info

IUPAC name:

ethyl (Z)-3-hydroxy-2-(2-hydroxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(C)(C)CN1[C@@H]2CCCCC2N(P1=S)CC(C)(C)C

DOS

IR

Vibrations