Geometry & MOs

Info

ID:

16942

PubChem CID:

480753

Reduced:

SN2O8C30H44 (1)

Stoich.:

AB2C8D30E44 (1)

Weight, g/mol:

592.281838

ΔHf, kcal/mol:

-347.59

Dipole, Da:

9.27

IP(EA), eV:

 -9.06(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(2S,3R)-3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-[4-(2-methyl-1,3-dioxolan-2-yl)butyl]amino]-1-phenylbutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1(OCCO1)CCCCN(C[C@H]([C@H](CC2=CC=CC=C2)NC(=O)OC(C)(C)C)O)S(=O)(=O)C3=CC=C(C=C3)OC

DOS

IR

Vibrations