Geometry & MOs

Info

ID:	322116
PubChem CID:	126668711
Reduced:	SF3N3O4C26H28 (1)
Stoich.:	AB3C3D4E26F28 (1)
Weight, g/mol:	495.123975
ΔH_f, kcal/mol:	-241.34
Dipole, Da:	7.31
IP(EA), eV:	-9.43(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-[2-(2-fluoroethyl)-4-(trifluoromethyl)phenyl]-4-methyl-N-pyrimidin-4-yl-2,3-dihydrochromene-7-sulfonamide

Drug info:

PubChemData

Smile

C[C@]1(CCOC2=C1C=CC(=C2)S(=O)(=O)NC3=NN=CC=C3)C4=C(C=C(C=C4)C(F)(F)F)CCCCOC

DOS

IR

Vibrations