Geometry & MOs

Info

ID:	392591
PubChem CID:	135017291
Reduced:	NO7C34H47 (1)
Stoich.:	AB7C34D47 (1)
Weight, g/mol:	359.267173
ΔH_f, kcal/mol:	-322.12
Dipole, Da:	3.25
IP(EA), eV:	-8.82(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(2S,3S,4S)-3,4-bis[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol

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@H](CO)[C@H]2[C@@H]([C@H](CN2C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)OC(C)(C)C)OC(C)(C)C)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@H](CO)[C@H]2[C@@H]([C@H](CN2C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)OC(C)(C)C)OC(C)(C)C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):