Geometry & MOs

Info

ID:	232305
PubChem CID:	87575945
Reduced:	S2N3O11C13H27 (1)
Stoich.:	A2B3C11D13E27 (1)
Weight, g/mol:	464.124685
ΔH_f, kcal/mol:	-513.5
Dipole, Da:	12.68
IP(EA), eV:	-9.15(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 2-[[(2R)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-3-sulfanylpropanoyl]amino]acetate;sulfuric acid;hydrate

Drug info:

PubChemData

Smile

CC(C)OC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)N.O.OS(=O)(=O)O

DOS

IR

Vibrations