Geometry & MOs

Info

ID:	435588
PubChem CID:	135191871
Reduced:	N3O5C24H27 (1)
Stoich.:	A3B5C24D27 (1)
Weight, g/mol:	422.16085
ΔH_f, kcal/mol:	-100.88
Dipole, Da:	2.15
IP(EA), eV:	-8.22(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-7-(3-chloro-5-formyl-4-methyl-2,6-dinitrosophenyl)-5-methylhept-5-enyl] 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

C[C@H](COC1=C(C=C(C=C1)C(=O)OC)N(C)C)NC(=O)C2=NOC(=C2)CC3=CC=CC=C3

DOS

IR

Vibrations