Geometry & MOs

Info

ID:	227215
PubChem CID:	87560638
Reduced:	N2O2C23H36 (2)
Stoich.:	A2B2C23D36 (2)
Weight, g/mol:	360.208279
ΔH_f, kcal/mol:	-176.59
Dipole, Da:	3.9
IP(EA), eV:	-9.24(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-tert-butylsulfanyl-2-[[3-methyl-2-(propanoylamino)butanoyl]amino]propanoate

Drug info:

PubChemData

Smile

C[C@H](CCCC(C)C)[C@H]1CCC2[C@@]1(CCC3C2CC=C4[C@@]3(CCC(C4)OC(=O)NCCCCCCCCCCCC(=O)ON5C6=CC=CC=C6N=N5)C)C

DOS

IR

Vibrations