Geometry & MOs

Info

ID:	324420
PubChem CID:	126677640
Reduced:	SN2O3C12H17 (2)
Stoich.:	AB2C3D12E17 (2)
Weight, g/mol:	384.099122
ΔH_f, kcal/mol:	-223.1
Dipole, Da:	3.12
IP(EA), eV:	-9.36(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-acetamido-4-[5-[(2S)-2-amino-3-oxobutyl]-2-hydroxyphenyl]peroxy-4-oxobutanethioic S-acid

Drug info:

PubChemData

Smile

C/C=C/1\C(=O)N[C@H](C(=O)OC\2CC(=O)N[C@@H](C(=O)N[C@H](CSSCC/C=C2)C(=O)N1)C(C)C)C(=C)C

DOS

IR

Vibrations