Geometry & MOs

Info

ID:	231850
PubChem CID:	87574773
Reduced:	ClO2C10H13 (1)
Stoich.:	AB2C10D13 (1)
Weight, g/mol:	357.199882
ΔH_f, kcal/mol:	-85.42
Dipole, Da:	4.47
IP(EA), eV:	-10.25(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide;(2S,4R)-pentane-1,2,3,4,5-pentol

Drug info:

PubChemData

Smile

C1CC(C(C=C1)/C=C/CCl)C(=O)O

DOS

IR

Vibrations