Geometry & MOs

Info

ID:	432499
PubChem CID:	135172632
Reduced:	N3O4P4C6H15 (1)
Stoich.:	A3B4C4D6E15 (1)
Weight, g/mol:	694.275353
ΔH_f, kcal/mol:	-146.78
Dipole, Da:	2.2
IP(EA), eV:	-9.45(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[2-(hydroxymethyl)prop-2-enoyloxymethoxy]-5-[4-[4-[4-(5,5,5-trifluoropentyl)cyclohexen-1-yl]phenyl]phenyl]phenoxy]methyl 2-(hydroxymethyl)prop-2-enoate

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

[C@@H]([C@@H](C(=O)NO)P)(C(=O)N[C@H](C(=O)NP)P)P

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

[C@@H]([C@@H](C(=O)NO)P)(C(=O)N[C@H](C(=O)NP)P)P

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):