Geometry & MOs

Info

ID:	16716
PubChem CID:	475950
Reduced:	SN2O8C27H36 (1)
Stoich.:	AB2C8D27E36 (1)
Weight, g/mol:	548.219237
ΔH_f, kcal/mol:	-296.51
Dipole, Da:	4.96
IP(EA), eV:	-9.26(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-oxolan-3-yl] N-[(2S,3R)-3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(oxolan-2-ylmethyl)amino]-1-phenylbutan-2-yl]carbamate

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

COC1=CC=C(C=C1)S(=O)(=O)N(CC2CCCO2)C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)O[C@H]4CCOC4)O

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

COC1=CC=C(C=C1)S(=O)(=O)N(CC2CCCO2)C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)O[C@H]4CCOC4)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):