Geometry & MOs

Info

ID:	447253
PubChem CID:	135281485
Reduced:	ClFO5C22H22 (1)
Stoich.:	ABC5D22E22 (1)
Weight, g/mol:	704.152606
ΔH_f, kcal/mol:	-232.12
Dipole, Da:	4.93
IP(EA), eV:	-9.91(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(1R)-2-[(4-chloro-2-methylsulfonylphenyl)methyl]-1-(4-chlorophenyl)-7-fluoro-5-[1-hydroxy-1-(oxan-4-yl)ethyl]-3-oxoisoindol-1-yl]oxymethyl]cyclopropane-1-carboxamide

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@@](C1CCOCC1)(C2=CC(=C(C(=C2)F)C(=O)C3=CC=C(C=C3)Cl)C(=O)O)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@@](C1CCOCC1)(C2=CC(=C(C(=C2)F)C(=O)C3=CC=C(C=C3)Cl)C(=O)O)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):