Geometry & MOs

Info

ID:	44370
PubChem CID:	10503212
Reduced:	S2N3O3H21C22 (1)
Stoich.:	A2B3C3D21E22 (1)
Weight, g/mol:	440.20597
ΔH_f, kcal/mol:	-57.05
Dipole, Da:	3.03
IP(EA), eV:	-8.56(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R,3R,4R,5S,6S)-5-azido-2-methoxy-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]acetamide

Drug info:

PubChemData

Smile

C1CN(CC1COC2=CC=C(C=C2)CC3C(=O)NC(=O)S3)C4=NC5=CC=CC=C5S4

DOS

IR

Vibrations