Geometry & MOs

Info

ID:	322067
PubChem CID:	126668478
Reduced:	OSN3C13H13 (1)
Stoich.:	ABC3D13E13 (1)
Weight, g/mol:	518.123561
ΔH_f, kcal/mol:	28.18
Dipole, Da:	4.84
IP(EA), eV:	-8.83(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-[2-(2-oxopyrrolidin-1-yl)-4-(trifluoromethyl)phenyl]-N-pyrimidin-4-yl-3,4-dihydro-2H-chromene-7-sulfonamide

Drug info:

PubChemData

Smile

C1CC2=C(C=C(C=C2)SNC3=NC=NC=C3)OC1

DOS

IR

Vibrations