Geometry & MOs

Info

ID:	218765
PubChem CID:	85089940
Reduced:	O2N4C12H21 (2)
Stoich.:	A2B4C12D21 (2)
Weight, g/mol:	507.145755
ΔH_f, kcal/mol:	-198.95
Dipole, Da:	7.39
IP(EA), eV:	-8.82(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-[[1-(2-amino-3-sulfanylpropanoyl)pyrrolidine-2-carbonyl]amino]-3-sulfanylpropanoyl]amino]-5-(carboxymethylamino)-5-oxopentanoic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)C2CCCN2C(=O)C(CCCN=C(N)N)NC(=O)C3CCCN3C(=O)CN

DOS

IR

Vibrations