Geometry & MOs

Info

ID:	1823
PubChem CID:	5131
Reduced:	SN6O7C18H22 (1)
Stoich.:	AB6C7D18E22 (1)
Weight, g/mol:	466.127068
ΔH_f, kcal/mol:	-208.36
Dipole, Da:	7.73
IP(EA), eV:	-9.45(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-5-[[3-[2-(4-azidophenyl)-2-oxoethyl]sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)N=[N+]=[N-]

DOS

IR

Vibrations