Geometry & MOs

Info

ID:	219034
PubChem CID:	85090393
Reduced:	ClNS3O6C23H24 (1)
Stoich.:	ABC3D6E23F24 (1)
Weight, g/mol:	541.226487
ΔH_f, kcal/mol:	-187.29
Dipole, Da:	9.23
IP(EA), eV:	-9.48(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

16-[1-chloro-2-[2-(hydroxymethyl)-1,3-thiazol-4-yl]ethenyl]-7-ethyl-4,8-dihydroxy-5,5,9,13-tetramethyl-1-oxacyclohexadec-13-ene-2,6-dione

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1=CC(=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)C(C)NS(=O)(=O)C)S(=O)(=O)C3=C(C(=CC=C3)Cl)C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1=CC(=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)C(C)NS(=O)(=O)C)S(=O)(=O)C3=C(C(=CC=C3)Cl)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):