Geometry & MOs

Info

ID:	219383
PubChem CID:	85148343
Reduced:	O3N10C22H26 (1)
Stoich.:	A3B10C22D26 (1)
Weight, g/mol:	478.184583
ΔH_f, kcal/mol:	8.9
Dipole, Da:	5.03
IP(EA), eV:	-8.32(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-amino-2-[[2-[2-[(2-amino-3-sulfanylpropanoyl)amino]propanoylamino]-3-hydroxybutanoyl]amino]-5-oxopentanoyl]amino]acetic acid

Drug info:

PubChemData

Smile

COC(=O)C(CCC1=NNN=N1)NC(=O)C2=CC=C(C=C2)CCCC3=CNC4=NC(=NC(=C34)N)N

DOS

IR

Vibrations