Geometry & MOs

Info

ID:	322156
PubChem CID:	126668962
Reduced:	N2S2F4O5H22C24 (1)
Stoich.:	A2B2C4D5E22F24 (1)
Weight, g/mol:	518.069417
ΔH_f, kcal/mol:	-345.55
Dipole, Da:	12.2
IP(EA), eV:	-9.2(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-N-pyrimidin-2-yl-4-[2-(1,3-thiazol-2-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide

Drug info:

PubChemData

Smile

CS(=O)(=O)CCC1=C(C=CC(=C1)C(F)(F)F)[C@H]2CCOC3=C2C=CC(=C3)S(=O)(=O)NC4=NC(=CC=C4)F

DOS

IR

Vibrations