Geometry & MOs

Info

ID:	435206
PubChem CID:	135184678
Reduced:	ClFSO3N4H20C24 (1)
Stoich.:	ABCD3E4F20G24 (1)
Weight, g/mol:	518.103574
ΔH_f, kcal/mol:	-53.9
Dipole, Da:	7.71
IP(EA), eV:	-9.34(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-fluoropyridin-2-yl)-4-[2-pyrazol-1-yl-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide

Drug info:

PubChemData

Smile

CN1C(=CC=N1)C2=C(C=CC(=C2)Cl)C3CCOC4=C3C=CC(=C4)S(=O)(=O)NC5=NC(=CC=C5)F

DOS

IR

Vibrations