Geometry & MOs

Info

ID:	141649
PubChem CID:	52908543
Reduced:	SN3O5C25H27 (1)
Stoich.:	AB3C5D25E27 (1)
Weight, g/mol:	390.082033
ΔH_f, kcal/mol:	-157.42
Dipole, Da:	5.24
IP(EA), eV:	-8.58(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1,1-dioxo-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-N-(thiophen-2-ylmethyl)thiolan-3-amine

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)[C@@H](C)N(C)CC(=O)NC3=CC=C(C=C3)O

DOS

IR

Vibrations