Geometry & MOs

Info

ID:	45051
PubChem CID:	10507536
Reduced:	N4C21H22 (1)
Stoich.:	A4B21C22 (1)
Weight, g/mol:	584.280775
ΔH_f, kcal/mol:	144.46
Dipole, Da:	2.17
IP(EA), eV:	-4.45(-2.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzenesulfinyl)-3-[(4S,6S)-2,2-dimethyl-6-(2-phenylmethoxyethyl)-1,3-dioxan-4-yl]-1-[(4R,6R)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]propan-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

C1=CC=C2C(=C1)C(=CC=[N+]2CCC[N+]3=CC=C(C4=CC=CC=C43)N)N

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

C1=CC=C2C(=C1)C(=CC=[N+]2CCC[N+]3=CC=C(C4=CC=CC=C43)N)N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):