Geometry & MOs

Info

ID:	176479
PubChem CID:	76056819
Reduced:	O2N4C13H14 (1)
Stoich.:	A2B4C13D14 (1)
Weight, g/mol:	574.298922
ΔH_f, kcal/mol:	27.05
Dipole, Da:	3.76
IP(EA), eV:	-9.26(-2.35)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-[[2-[[2-[(2-acetamido-3-phenylpropanoyl)amino]-3-methylbutanoyl]amino]-6-aminohexanoyl]amino]-2,5-dihydroxy-5-oxopent-1-ene-1-diazonium

Drug info:

PubChemData

Smile

CC1=CC(=NN1C(C)C(=O)N=C2C=NC=CC2=O)C

DOS

IR

Vibrations