Geometry & MOs

Info

ID:	421088
PubChem CID:	135115367
Reduced:	NSO6C18H25 (1)
Stoich.:	ABC6D18E25 (1)
Weight, g/mol:	302.126657
ΔH_f, kcal/mol:	-233.37
Dipole, Da:	4.83
IP(EA), eV:	-9.68(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(hydroxymethyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[C@@H]([C@@](C2)(CC3CC3)C(=O)O)O

DOS

IR

Vibrations