Geometry & MOs

Info

ID:

180492

PubChem CID:

76641737

Reduced:

SN4O4C17H24 (1)

Stoich.:

AB4C4D17E24 (1)

Weight, g/mol:

725.210854

ΔHf, kcal/mol:

-123.54

Dipole, Da:

9.18

IP(EA), eV:

 -8.86(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-anilino-18-[(6-chloro-1,3-benzothiazol-2-yl)oxy]-N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)NC1=CC(=C(C=C1)OC)S(=O)(=O)NC2CCN(C2)C#N

DOS

IR

Vibrations