Geometry & MOs

Info

ID:	318277
PubChem CID:	126650235
Reduced:	ClFNO2H17C18 (1)
Stoich.:	ABCD2E17F18 (1)
Weight, g/mol:	502.103494
ΔH_f, kcal/mol:	-93.21
Dipole, Da:	5.04
IP(EA), eV:	-9.01(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)C2=C(C=CC(=C2)CNC(=O)C3CC3)F)O

DOS

IR

Vibrations