Geometry & MOs

Info

ID:	134092
PubChem CID:	51642510
Reduced:	S2N3O4C23H27 (1)
Stoich.:	A2B3C4D23E27 (1)
Weight, g/mol:	493.170513
ΔH_f, kcal/mol:	-67.92
Dipole, Da:	8.4
IP(EA), eV:	-9.05(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]sulfanyl-N,N-diethylpyridine-3-sulfonamide

Drug info:

PubChemData

Smile

C[C@@H](C1CC1)N(CC2=CC=CC=C2)C(=O)CSC3=NC4=C(O3)C=CC(=C4)S(=O)(=O)N(C)C

DOS

IR

Vibrations