Geometry & MOs

Info

ID:	308952
PubChem CID:	126532526
Reduced:	N3O7C15H24 (1)
Stoich.:	A3B7C15D24 (1)
Weight, g/mol:	357.1536
ΔH_f, kcal/mol:	-275.19
Dipole, Da:	8.02
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.873780
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1-diazonio-6-ethoxy-5-[2-(2-methylpropanoyloxy)ethoxycarbonylamino]-6-oxohex-1-en-2-olate

Drug info:

PubChemData

Smile

CCOC(=O)C(CC/C(=C/[N+]#N)/O)NC(=O)OC(C)OC(=O)C(C)C

DOS

IR

Vibrations