Geometry & MOs

Info

ID:	416282
PubChem CID:	135089294
Reduced:	NSO5C17H25 (1)
Stoich.:	ABC5D17E25 (1)
Weight, g/mol:	330.140199
ΔH_f, kcal/mol:	-198.18
Dipole, Da:	6.7
IP(EA), eV:	-8.66(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-4-thiophen-2-ylbutanamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCC[C@]3(C2)CCC[C@H]3O

DOS

IR

Vibrations