Geometry & MOs

Info

ID:	28750
PubChem CID:	829354
Reduced:	O2S2N3C14H17 (1)
Stoich.:	A2B2C3D14E17 (1)
Weight, g/mol:	240.136159
ΔH_f, kcal/mol:	-65.12
Dipole, Da:	5.47
IP(EA), eV:	-8.71(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-bis(hydroxymethyl)-3-phenylpentane-1,5-diol

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)NC(=N2)SCC(=O)N3CCCC3)C

DOS

IR

Vibrations