Geometry & MOs

Info

ID:	217237
PubChem CID:	85087481
Reduced:	S2N3O3H11C15 (1)
Stoich.:	A2B3C3D11E15 (1)
Weight, g/mol:	345.139865
ΔH_f, kcal/mol:	11.63
Dipole, Da:	9.31
IP(EA), eV:	-8.84(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-methylsulfanyl-2-(2-naphthalen-1-ylpropanoylamino)butanoate

Drug info:

PubChemData

Smile

C1CC2=C3N(C=C(S3)C=C4C5N(C4=O)C(=CS5)C(=O)O)N=C2C1

DOS

IR

Vibrations