Geometry & MOs

Info

ID:

160577

PubChem CID:

57389110

Reduced:

ClSN2O3H17C20 (1)

Stoich.:

ABC2D3E17F20 (1)

Weight, g/mol:

427.112126

ΔHf, kcal/mol:

-28.43

Dipole, Da:

8.39

IP(EA), eV:

 -9.44(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(9R)-7-(4-chlorophenyl)-4,5,13-trimethyl-11-oxa-3-thia-8,12-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,7,12-pentaen-9-yl]-N-ethylacetamide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=N[C@@H](C3=C2C(=NO3)C)CC(=O)O)C4=CC=C(C=C4)Cl)C

DOS

IR

Vibrations