Geometry & MOs

Info

ID:	149582
PubChem CID:	53789256
Reduced:	SN3O7C21H33 (1)
Stoich.:	AB3C7D21E33 (1)
Weight, g/mol:	354.183109
ΔH_f, kcal/mol:	-327.66
Dipole, Da:	8.77
IP(EA), eV:	-9.76(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(3-hydroxy-4-prop-1-enoxyphenyl)butyl]-2-prop-1-enoxyphenol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)O

DOS

IR

Vibrations