Geometry & MOs

Info

ID:	322120
PubChem CID:	126668741
Reduced:	ClSN2O5H11C13 (1)
Stoich.:	ABC2D5E11F13 (1)
Weight, g/mol:	398.220557
ΔH_f, kcal/mol:	-144.15
Dipole, Da:	9.36
IP(EA), eV:	-10.4(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-[[(2S)-2-(methylamino)-3-phenylpropanoyl]amino]-3-(4-propan-2-yloxyphenyl)propanoate

Drug info:

PubChemData

Smile

CN1C(=O)C(=C(C(=N1)C(=O)O)Cl)C2=CC=C(C=C2)S(=O)(=O)C

DOS

IR

Vibrations