Geometry & MOs

Info

ID:	17742
PubChem CID:	516557
Reduced:	N2S2O3C14H18 (1)
Stoich.:	A2B2C3D14E18 (1)
Weight, g/mol:	326.075885
ΔH_f, kcal/mol:	-111.93
Dipole, Da:	4.31
IP(EA), eV:	-9.35(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[2-[[(2R)-2-acetamido-3-sulfanylpropanoyl]amino]ethyl] benzenecarbothioate

Drug info:

PubChemData

Smile

CC(=O)N[C@@H](CS)C(=O)NCCSC(=O)C1=CC=CC=C1

DOS

IR

Vibrations