Geometry & MOs

Info

ID:	380346
PubChem CID:	134970761
Reduced:	NSSiO5C23H39 (1)
Stoich.:	ABCD5E23F39 (1)
Weight, g/mol:	469.231821
ΔH_f, kcal/mol:	-258.51
Dipole, Da:	6.2
IP(EA), eV:	-9.06(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(benzenesulfonyl)-3-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-amine

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

CC1(OC[C@@H](O1)C([C@@H](C[C@H]2C[C@H]2O[Si](C)(C)C(C)(C)C)S(=O)(=O)C3=CC=CC=C3)N)C

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

CC1(OC[C@@H](O1)C([C@@H](C[C@H]2C[C@H]2O[Si](C)(C)C(C)(C)C)S(=O)(=O)C3=CC=CC=C3)N)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):