Geometry & MOs

Info

ID:	149335
PubChem CID:	53789007
Reduced:	C11F14 (1)
Stoich.:	A11B14 (1)
Weight, g/mol:	740.18059
ΔH_f, kcal/mol:	-645.97
Dipole, Da:	1.84
IP(EA), eV:	-11.31(-2.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

iodomethyl 4-[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]oxy-3-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]oxymethyl]butanoate

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

C12=C(C(=C(C(=C1F)F)F)F)C(C(C(C2(F)F)(C(F)(F)F)F)(F)F)(F)F

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

C12=C(C(=C(C(=C1F)F)F)F)C(C(C(C2(F)F)(C(F)(F)F)F)(F)F)(F)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):