Geometry & MOs

Info

ID:

225807

PubChem CID:

87226359

Reduced:

NSO2C13H17 (1)

Stoich.:

ABC2D13E17 (1)

Weight, g/mol:

910.375525

ΔHf, kcal/mol:

-68.32

Dipole, Da:

4.48

IP(EA), eV:

 -8.73(-0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[3-[6-[[2-[tert-butyl(dimethyl)silyl]oxy-2-(5-hydroxy-3-oxo-4H-1,4-benzoxazin-8-yl)ethyl]amino]hexylcarbamoyl]phenyl]sulfonyl-4-(3-methoxyanilino)-8-methylquinoline-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=S)OC2=CC=C(C=C2)O

DOS

IR

Vibrations