Geometry & MOs

Info

ID:

17074

PubChem CID:

483189

Reduced:

SN7O9C20H29 (1)

Stoich.:

AB7C9D20E29 (1)

Weight, g/mol:

543.174747

ΔHf, kcal/mol:

-226.48

Dipole, Da:

14.22

IP(EA), eV:

 -10.1(-1.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-[5-(4-nitrophenyl)tetrazol-2-yl]ethyl]oxolan-2-yl]methyl N-[(2S,3S)-2-amino-3-methylpentanoyl]sulfamate

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)CCN2N=C(N=N2)C3=CC=C(C=C3)[N+](=O)[O-])O)O)N

DOS

IR

Vibrations