Geometry & MOs

Info

ID:	147179
PubChem CID:	53786832
Reduced:	NSO2C10H19 (1)
Stoich.:	ABC2D10E19 (1)
Weight, g/mol:	431.115107
ΔH_f, kcal/mol:	-77.29
Dipole, Da:	4.29
IP(EA), eV:	-8.04(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (5R,6S,7S)-7-(1-acetyloxypropyl)-4-diazo-3-methyl-5,8-dioxo-5lambda4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CC.COS(=O)C.C1=CC=C(C=C1)N

DOS

IR

Vibrations