Geometry & MOs

Info

ID:	447279
PubChem CID:	135281734
Reduced:	ClFNO4H29C31 (1)
Stoich.:	ABCD4E29F31 (1)
Weight, g/mol:	525.147364
ΔH_f, kcal/mol:	-94.33
Dipole, Da:	1.97
IP(EA), eV:	-9.38(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methoxy]-6-(2-hydroxypropan-2-yl)isoindol-1-one

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

CC(C)(C1=CC2=C(C(=C1)F)[C@@](N(C2=O)CC3=CC=C(C=C3)C#C)(C4=CC=C(C=C4)Cl)OCC5(CC5)CO)O

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

CC(C)(C1=CC2=C(C(=C1)F)[C@@](N(C2=O)CC3=CC=C(C=C3)C#C)(C4=CC=C(C=C4)Cl)OCC5(CC5)CO)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):