Geometry & MOs

Info

ID:	418258
PubChem CID:	135104020
Reduced:	SO2N4C16H24 (1)
Stoich.:	AB2C4D16E24 (1)
Weight, g/mol:	356.130697
ΔH_f, kcal/mol:	-59.27
Dipole, Da:	2.9
IP(EA), eV:	-8.66(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CCC1=NC=C(C=N1)C(=O)N2CCCN(CC2)C(=O)CCSC

DOS

IR

Vibrations