Geometry & MOs

Info

ID:

181008

PubChem CID:

76715519

Reduced:

NO2C17H25 (1)

Stoich.:

AB2C17D25 (1)

Weight, g/mol:

752.273599

ΔHf, kcal/mol:

-82.19

Dipole, Da:

2.41

IP(EA), eV:

 -8.48(0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-(1,3-benzothiazol-2-yloxy)-14-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(CCCCCC=C)C(=O)OC

DOS

IR

Vibrations