Geometry & MOs

Info

ID:	80660
PubChem CID:	49835791
Reduced:	NSO9C16H23 (1)
Stoich.:	ABC9D16E23 (1)
Weight, g/mol:	305.129694
ΔH_f, kcal/mol:	-431.47
Dipole, Da:	3.74
IP(EA), eV:	-9.47(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-[(4R,5S)-2,2-dimethyl-5-[(2S)-thiiran-2-yl]-1,3-dioxolan-4-yl]-2,2-dimethoxyethyl]acetamide

Drug info:

PubChemData

Smile

CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](S[C@@H]1OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations