Geometry & MOs

Info

ID:	147578
PubChem CID:	53787234
Reduced:	S2N3O5C24H27 (1)
Stoich.:	A2B3C5D24E27 (1)
Weight, g/mol:	505.167142
ΔH_f, kcal/mol:	-150.72
Dipole, Da:	3.48
IP(EA), eV:	-8.99(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-(3-phenyl-1,2,4-oxadiazol-5-yl)-3,4-dihydrochromen-4-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)S(=O)(=O)N[C@H]2[C@@H](C(OC3=C2C=C(C=C3)C(=O)NC4=NC(=CS4)C)(C)C)O

DOS

IR

Vibrations