Geometry & MOs

Info

ID:	44230
PubChem CID:	10502106
Reduced:	IO4C17H23 (1)
Stoich.:	AB4C17D23 (1)
Weight, g/mol:	418.137616
ΔH_f, kcal/mol:	-187.75
Dipole, Da:	6.29
IP(EA), eV:	-9.26(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2Z)-2-[(3R,4R,5S)-3-acetyloxy-4-(2-phenylacetyl)oxy-1-azabicyclo[3.1.0]hexan-2-ylidene]-2-(methoxycarbonylamino)acetate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CC[C@@H](CCC1=CC=C(C=C1)I)C(=O)O

DOS

IR

Vibrations