Geometry & MOs

Info

ID:	318260
PubChem CID:	126650128
Reduced:	N2O2C21H22 (1)
Stoich.:	A2B2C21D22 (1)
Weight, g/mol:	527.113805
ΔH_f, kcal/mol:	14.86
Dipole, Da:	2.08
IP(EA), eV:	-8.87(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-N-(5-fluoropyrimidin-2-yl)-4-[2-(2-methoxyethoxy)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide

Drug info:

PubChemData

Smile

C1CN(CC2=C1N=C(C=C2)C#CC3=CC=CC=C3)C4CC(C4)C(O)O

DOS

IR

Vibrations