Geometry & MOs

Info

ID:	218125
PubChem CID:	85088914
Reduced:	NO5C25H37 (1)
Stoich.:	AB5C25D37 (1)
Weight, g/mol:	431.158886
ΔH_f, kcal/mol:	-241.93
Dipole, Da:	6.22
IP(EA), eV:	-8.98(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(2-benzyl-3-benzylsulfanylpropanoyl)amino]-4-methylsulfanylbutanoate

Drug info:

PubChemData

Smile

CC(C)C1=C(C=CC(=C1)CC(C=CC2CCCC(=O)N2CCCCCCC(=O)O)O)O

DOS

IR

Vibrations