Geometry & MOs

Info

ID:	303624
PubChem CID:	124489972
Reduced:	NO4C6H10 (2)
Stoich.:	AB4C6D10 (2)
Weight, g/mol:	389.195071
ΔH_f, kcal/mol:	-339.21
Dipole, Da:	6.99
IP(EA), eV:	-9.85(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,7R)-7-[[(1S)-1-carboxy-3-phenylpropyl]amino]-6-oxo-1,2,3,4,7,8,9,10-octahydropyridazino[1,2-a]diazepine-4-carboxylic acid

Drug info:

PubChemData

Smile

C1CN([C@@H]1C(=O)O)C[C@@H]([C@@H](C(=O)O)NCC[C@H](C(=O)O)O)O

DOS

IR

Vibrations