Geometry & MOs

Info

ID:	318291
PubChem CID:	126650355
Reduced:	ClO2N3C10H12 (1)
Stoich.:	AB2C3D10E12 (1)
Weight, g/mol:	533.114473
ΔH_f, kcal/mol:	-51.17
Dipole, Da:	0.75
IP(EA), eV:	-9.63(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CC2=CN=C(N=C21)Cl)CCC(=O)O

DOS

IR

Vibrations