Geometry & MOs

Info

ID:	447630
PubChem CID:	135284328
Reduced:	ClO2N5H8C11 (1)
Stoich.:	AB2C5D8E11 (1)
Weight, g/mol:	528.122515
ΔH_f, kcal/mol:	10.71
Dipole, Da:	4.26
IP(EA), eV:	-9.36(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-[(2R,4S)-2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1C2=NC(=O)N3C=CC=C3N2)C(=O)Cl

DOS

IR

Vibrations