Geometry & MOs

Info

ID:	148972
PubChem CID:	53788643
Reduced:	SN4O6C22H26 (1)
Stoich.:	AB4C6D22E26 (1)
Weight, g/mol:	358.019721
ΔH_f, kcal/mol:	-140.34
Dipole, Da:	7.44
IP(EA), eV:	-8.98(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dichloro-4-[4-(4-hydroxyphenyl)sulfanylbutoxy]phenol

Drug info:

PubChemData

Smile

C1COCCN1CCON=CC2=C(N3[C@H]([C@@H](C3=O)NC(=O)CC4=CC=CC=C4)SC2)C(=O)O

DOS

IR

Vibrations