Geometry & MOs

Info

ID:	318335
PubChem CID:	126650540
Reduced:	NSO4C12H15 (1)
Stoich.:	ABC4D12E15 (1)
Weight, g/mol:	532.119224
ΔH_f, kcal/mol:	-97.11
Dipole, Da:	5.44
IP(EA), eV:	-9.74(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-N-(4-fluoropyridin-2-yl)-4-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide

Drug info:

PubChemData

Smile

CN(C(=O)/C=C/C1=CC(=CC=C1)S(=O)(=O)C)OC

DOS

IR

Vibrations