Geometry & MOs

Info

ID:	414256
PubChem CID:	135087212
Reduced:	SN2O4C21H22 (1)
Stoich.:	AB2C4D21E22 (1)
Weight, g/mol:	373.175004
ΔH_f, kcal/mol:	-91.17
Dipole, Da:	4.62
IP(EA), eV:	-8.78(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]pyrazin-2-yl]-morpholin-4-ylmethanone

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C3(CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)C#N)OCC2

DOS

IR

Vibrations