Geometry & MOs

Info

ID:

380604

PubChem CID:

134971093

Reduced:

NSO6C26H33 (1)

Stoich.:

ABC6D26E33 (1)

Weight, g/mol:

499.223988

ΔHf, kcal/mol:

-184.89

Dipole, Da:

5.73

IP(EA), eV:

 -9.1(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(1S)-2-(benzenesulfonyl)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-[(2R)-2-(methoxymethoxy)cyclopropyl]propyl]carbamate

Drug info:

PubChemData

Smile

CC1(OC[C@@H](O1)[C@@H](/C(=C\C2C[C@H]2OCOC)/S(=O)(=O)C3=CC=CC=C3)NCC4=CC=CC=C4)C

DOS

IR

Vibrations