Geometry & MOs

Info

ID:	228715
PubChem CID:	87565601
Reduced:	S2N3O3C16H23 (1)
Stoich.:	A2B3C3D16E23 (1)
Weight, g/mol:	242.145285
ΔH_f, kcal/mol:	-110.77
Dipole, Da:	4.5
IP(EA), eV:	-8.61(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[bis(prop-2-enyl)amino]propyl-methylamino]ethanethioic S-acid

Drug info:

PubChemData

Smile

CC(=O)SC\1CCNC/C1=C\C2=CSC(=N2)NC(=O)OC(C)(C)C

DOS

IR

Vibrations