Geometry & MOs

Info

ID:	322137
PubChem CID:	126668829
Reduced:	SN3F4O5H21C25 (1)
Stoich.:	AB3C4D5E21F25 (1)
Weight, g/mol:	513.114554
ΔH_f, kcal/mol:	-325.57
Dipole, Da:	9.69
IP(EA), eV:	-9.38(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-[2-(3,3-difluoropropyl)-4-(trifluoromethyl)phenyl]-N-pyrimidin-2-yl-3,4-dihydro-2H-chromene-7-sulfonamide

Drug info:

PubChemData

Smile

C[C@]1(CCOC2=C1C=CC(=C2)S(=O)(=O)NC3=NC(=CC=C3)F)C4=C(C=C(C=C4)C(F)(F)F)N5CCOC5=O

DOS

IR

Vibrations