Geometry & MOs

Info

ID:	151378
PubChem CID:	53801165
Reduced:	SN2O3C26H40 (1)
Stoich.:	AB2C3D26E40 (1)
Weight, g/mol:	411.146407
ΔH_f, kcal/mol:	-155.8
Dipole, Da:	2.15
IP(EA), eV:	-8.76(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-5-[[1-(carboxymethylamino)-1-oxo-3-(2-phenylethylsulfanyl)propan-2-yl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CNC(=O)[C@H](CSCC2CCCCC2)NC(=O)C3CCCCCC3

DOS

IR

Vibrations