Geometry & MOs

Info

ID:	322069
PubChem CID:	126668488
Reduced:	SN3O3F5H20C23 (1)
Stoich.:	AB3C3D5E20F23 (1)
Weight, g/mol:	509.139625
ΔH_f, kcal/mol:	-290.19
Dipole, Da:	6.13
IP(EA), eV:	-9.55(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@]1(CCOC2=C1C=CC(=C2)S(=O)(=O)NC3=NC=C(C=N3)F)C4=C(C=C(C=C4)C(F)(F)F)CCF

DOS

IR

Vibrations