Geometry & MOs

Info

ID:	11813
PubChem CID:	121449
Reduced:	N6O6C15H22 (1)
Stoich.:	A6B6C15D22 (1)
Weight, g/mol:	382.160082
ΔH_f, kcal/mol:	-143.18
Dipole, Da:	8.27
IP(EA), eV:	-9.71(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-diazo-2-[[6-diazo-5-oxo-2-(prop-2-enylamino)hexanoyl]amino]-5-oxohexanoic acid;hydrate

Drug info:

PubChemData

Smile

C=CCNC(CCC(=O)C=[N+]=[N-])C(=O)NC(CCC(=O)C=[N+]=[N-])C(=O)O.O

DOS

IR

Vibrations