Geometry & MOs

Info

ID:	422466
PubChem CID:	135117880
Reduced:	O2N5C16H23 (1)
Stoich.:	A2B5C16D23 (1)
Weight, g/mol:	266.108899
ΔH_f, kcal/mol:	-33.32
Dipole, Da:	7.5
IP(EA), eV:	-9.24(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@@H]2O)C(=O)CCCC3=CNN=C3

DOS

IR

Vibrations