Geometry & MOs

Info

ID:	447606
PubChem CID:	135284204
Reduced:	S2O3N4C21H22 (1)
Stoich.:	A2B3C4D21E22 (1)
Weight, g/mol:	531.102195
ΔH_f, kcal/mol:	-22.1
Dipole, Da:	11.8
IP(EA), eV:	-8.91(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-6-fluoro-4-[(2R,4S)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide

Drug info:

PubChemData

Smile

C1CC(N(C1)C2CCOC3=C2C=CC(=C3)S(=O)(=O)NC4=NC=NS4)C5=CC=CC=C5

DOS

IR

Vibrations