Geometry & MOs

Info

ID:	380472
PubChem CID:	134970930
Reduced:	O5C20H28 (1)
Stoich.:	A5B20C28 (1)
Weight, g/mol:	376.199822
ΔH_f, kcal/mol:	-214.23
Dipole, Da:	4.76
IP(EA), eV:	-9.53(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-4-[(2R,3R,5R)-3-acetyloxy-3-methyl-5-[(3R)-6-oxo-3-propan-2-ylcyclohexen-1-yl]oxolan-2-yl]-1-diazoniobut-1-en-2-olate

Drug info:

PubChemData

Smile

CC(C)[C@H]1CCC(=O)/C/2=C/C[C@@]([C@H]3CCC(=O)[C@@H]([C@H]12)O3)(C)OC(=O)C

DOS

IR

Vibrations