Geometry & MOs

Info

ID:	236964
PubChem CID:	92716441
Reduced:	NSO2C13H13 (1)
Stoich.:	ABC2D13E13 (1)
Weight, g/mol:	487.172976
ΔH_f, kcal/mol:	-48.72
Dipole, Da:	1.38
IP(EA), eV:	-8.37(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R)-7-(4-fluorophenyl)-N-(3-methoxyphenyl)-17-thia-2,8-diazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),3,5,11(16)-tetraene-8-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1CN2C(=CC3=C2C(=CC=C3)S1)C(=O)OC

DOS

IR

Vibrations