Geometry & MOs

Info

ID:	422012
PubChem CID:	135117011
Reduced:	O2S2N3C18H19 (1)
Stoich.:	A2B2C3D18E19 (1)
Weight, g/mol:	249.147727
ΔH_f, kcal/mol:	-8.15
Dipole, Da:	5.15
IP(EA), eV:	-8.88(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N2C=CSC2=N1)C(=O)N3CCC4(CC3)C5=C(CCO4)C=CS5

DOS

IR

Vibrations