Geometry & MOs

Info

ID:	320187
PubChem CID:	126658603
Reduced:	PN2O9C17H29 (1)
Stoich.:	AB2C9D17E29 (1)
Weight, g/mol:	334.192629
ΔH_f, kcal/mol:	-485.38
Dipole, Da:	2.08
IP(EA), eV:	-10.26(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[(3R)-3-amino-5-ethylsulfanyl-2-methoxypentanoyl]-methylamino]butanoate

Drug info:

PubChemData

Smile

CCC(C)(C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O)OP(=O)(C(C)(CC)O)O

DOS

IR

Vibrations