Geometry & MOs

Info

ID:	233952
PubChem CID:	92297415
Reduced:	O2H7C9 (2)
Stoich.:	A2B7C9 (2)
Weight, g/mol:	312.045848
ΔH_f, kcal/mol:	-102.18
Dipole, Da:	3.92
IP(EA), eV:	-9.86(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-6-[dithiocarboxy(methyl)amino]-2-hydroxyhexyl]-methylcarbamodithioic acid

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC2=C1OC(=CC2=O)C3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations