Geometry & MOs

Info

ID:	318303
PubChem CID:	126650398
Reduced:	N2O3C20H22 (1)
Stoich.:	A2B3C20D22 (1)
Weight, g/mol:	516.107911
ΔH_f, kcal/mol:	-79.39
Dipole, Da:	5.45
IP(EA), eV:	-9.07(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CNCC(C1C2=CC=C(C=C2)O)COC3=CC4=C(CNC4=O)C=C3

DOS

IR

Vibrations