Geometry & MOs

Info

ID:	420982
PubChem CID:	135115157
Reduced:	SO2N3C18H27 (1)
Stoich.:	AB2C3D18E27 (1)
Weight, g/mol:	364.109293
ΔH_f, kcal/mol:	-57.57
Dipole, Da:	6.07
IP(EA), eV:	-9.14(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-(3-methylsulfonylphenyl)methanone

Drug info:

PubChemData

Smile

CCC1=CC=C(S1)C(=O)N2CCCN(CC2)C(C)C(=O)NCC=C

DOS

IR

Vibrations