Geometry & MOs

Info

ID:	188960
PubChem CID:	77794638
Reduced:	Cl2S2N4O4C37H44 (1)
Stoich.:	A2B2C4D4E37F44 (1)
Weight, g/mol:	290.132965
ΔH_f, kcal/mol:	-161.82
Dipole, Da:	4.56
IP(EA), eV:	-8.9(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-difluorophenyl)-3-(1-hydroxypentoxy)propane-1,2-diol

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)SC2C(C(=O)NC(=O)N2)C(C)C)C.CC1=CC(=CC(=C1)SC2C(C(=O)NC(=O)N2CC3=CC(=CC(=C3)Cl)Cl)C(C)C)C

DOS

IR

Vibrations