Geometry & MOs

Info

ID:

305231

PubChem CID:

124767683

Reduced:

SN3O6H21C22 (1)

Stoich.:

AB3C6D21E22 (1)

Weight, g/mol:

398.13253

ΔHf, kcal/mol:

-157.44

Dipole, Da:

1.24

IP(EA), eV:

 -9.37(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-nitro-N-[[(1R,2S,6S,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)N2C(=O)C[C@@H](C2=O)SC3=CC=C(C=C3)NC(=O)[C@@H]4CC=CC[C@H]4C(=O)O

DOS

IR

Vibrations