Geometry & MOs

Info

ID:	36259
PubChem CID:	7982802
Reduced:	ClSN3O6C15H18 (1)
Stoich.:	ABC3D6E15F18 (1)
Weight, g/mol:	380.176979
ΔH_f, kcal/mol:	-165.76
Dipole, Da:	4.0
IP(EA), eV:	-8.74(-2.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-methylpropylamino)-2-oxoethyl] (2R)-2-[(3-methylbenzoyl)amino]-4-methylsulfanylbutanoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)N)OC(=O)[C@H](CCSC)NC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])Cl

DOS

IR

Vibrations