Geometry & MOs

Info

ID:	243207
PubChem CID:	99216983
Reduced:	SN3O4C23H29 (1)
Stoich.:	AB3C4D23E29 (1)
Weight, g/mol:	437.188546
ΔH_f, kcal/mol:	-125.02
Dipole, Da:	3.03
IP(EA), eV:	-8.75(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[[3-[[2-(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanylacetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C2C(=C(OC2=C(C=C1)C)C(=O)NC3=CC(=NN3[C@H]4CCS(=O)(=O)C4)C(C)(C)C)C

DOS

IR

Vibrations