Geometry & MOs

Info

ID:	422303
PubChem CID:	135117596
Reduced:	ClSN2O4C15H19 (1)
Stoich.:	ABC2D4E15F19 (1)
Weight, g/mol:	392.1139
ΔH_f, kcal/mol:	-89.16
Dipole, Da:	7.63
IP(EA), eV:	-9.29(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)S(=O)(=O)N2C[C@@H]3COC[C@H](C2)N(C3=O)C

DOS

IR

Vibrations