Geometry & MOs

Info

ID:

181122

PubChem CID:

76715634

Reduced:

SN4O8C31H42 (1)

Stoich.:

AB4C8D31E42 (1)

Weight, g/mol:

697.23772

ΔHf, kcal/mol:

-320.18

Dipole, Da:

8.35

IP(EA), eV:

 -8.89(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-benzyl-18-[(6-chloro-1,3-benzothiazol-2-yl)oxy]-2,15-dioxo-N-phenoxy-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCCC=CC2CC2(CC(=O)C3CC(CN3C1=O)OC(=O)N(C)C)C(=O)NS(=O)(=O)CC(=O)NC4=CC=CC=C4

DOS

IR

Vibrations