Geometry & MOs

Info

ID:	431085
PubChem CID:	135171155
Reduced:	NF2O3C17H25 (1)
Stoich.:	AB2C3D17E25 (1)
Weight, g/mol:	463.133255
ΔH_f, kcal/mol:	-229.05
Dipole, Da:	4.44
IP(EA), eV:	-9.22(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(11R)-5-[(5-chloro-2-methoxyphenyl)sulfanylamino]-12-(2-hydroxyethyl)-9-oxa-1,7-diazatricyclo[9.5.0.03,8]hexadeca-3(8),4,6-trien-16-one

Drug info:

PubChemData

Smile

C/C(=C\C=C/C=C)/OC1CCN(CC1(F)F)C(=O)OC(C)(C)C

DOS

IR

Vibrations