Geometry & MOs

Info

ID:	447632
PubChem CID:	135284354
Reduced:	N4O5C24H30 (1)
Stoich.:	A4B5C24D30 (1)
Weight, g/mol:	574.158312
ΔH_f, kcal/mol:	-152.68
Dipole, Da:	4.11
IP(EA), eV:	-9.47(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-[(2S,4R)-2-(4-fluorophenyl)-4-(trifluoromethoxy)piperidin-1-yl]-N-(thian-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide

Drug info:

PubChemData

Smile

CC1C(C(NN1C2=NC(=O)C3=C(N2)CCC3)(CC4=CC=CC=C4)C(=O)O)(C(=O)O)C(C)(C)C

DOS

IR

Vibrations