Geometry & MOs

Info

ID:	84456
PubChem CID:	49866481
Reduced:	SN2O2C9H10 (1)
Stoich.:	AB2C2D9E10 (1)
Weight, g/mol:	604.266201
ΔH_f, kcal/mol:	-44.09
Dipole, Da:	7.21
IP(EA), eV:	-8.72(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[(2S)-6-amino-2-[[(2S)-3-[hydroxy-[(1R)-2-phenyl-1-[(2-phenylacetyl)amino]ethyl]phosphoryl]-2-methylpropanoyl]amino]hexanoyl]amino]-3-hydroxypropanoic acid

Drug info:

PubChemData

Smile

C1=CSC2=C1NC=C2C[C@@H](C(=O)O)N

DOS

IR

Vibrations