Geometry & MOs

Info

ID:	230037
PubChem CID:	87569910
Reduced:	NSO4C7H12 (1)
Stoich.:	ABC4D7E12 (1)
Weight, g/mol:	391.14043
ΔH_f, kcal/mol:	-152.2
Dipole, Da:	6.76
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.763103
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-[4-[4-[(2Z)-2-amino-2-hydroxyiminoethyl]triazol-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

Drug info:

PubChemData

Smile

CC[N+]1(CSCC1C(=O)O)C(=O)O

DOS

IR

Vibrations