Geometry & MOs

Info

ID:	435204
PubChem CID:	135184569
Reduced:	O2S2N6C11H14 (1)
Stoich.:	A2B2C6D11E14 (1)
Weight, g/mol:	588.145439
ΔH_f, kcal/mol:	21.47
Dipole, Da:	2.35
IP(EA), eV:	-9.35(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-fluoropyrimidin-2-yl)-4-[2-(6-propan-2-yloxypyridin-3-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide

Drug info:

PubChemData

Smile

C1CC1C2=NSC(=N2)N.C1CC1C2=NSC(=N2)NC(=O)O

DOS

IR

Vibrations