Geometry & MOs

Info

ID:	449778
PubChem CID:	135301379
Reduced:	N4O4C15H27 (1)
Stoich.:	A4B4C15D27 (1)
Weight, g/mol:	257.137556
ΔH_f, kcal/mol:	-152.41
Dipole, Da:	1.88
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.817402
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(2-aminopropanoylamino)-6-imino-5-oxohexanoate

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)N[C@@H](CCC(=O)C=[N+]=N)C(=O)OC(C)C)N

DOS

IR

Vibrations