Geometry & MOs

Info

ID:	308027
PubChem CID:	125311871
Reduced:	N5O5C13H13 (1)
Stoich.:	A5B5C13D13 (1)
Weight, g/mol:	390.240624
ΔH_f, kcal/mol:	-21.84
Dipole, Da:	12.77
IP(EA), eV:	-8.87(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (4E,7S,8S,9E,11E,13E,15E,17S,19E)-7,8,17-trihydroxydocosa-4,9,11,13,15,19-hexaenoate

Drug info:

PubChemData

Smile

CC1=NC(=NC(=O)C1)NNC=C2C=C(C=C(C2=O)OC)[N+](=O)[O-]

DOS

IR

Vibrations