Geometry & MOs

Info

ID:	130429
PubChem CID:	51087546
Reduced:	S2N3O3C14H17 (1)
Stoich.:	A2B3C3D14E17 (1)
Weight, g/mol:	349.080636
ΔH_f, kcal/mol:	-70.97
Dipole, Da:	8.81
IP(EA), eV:	-9.5(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2-(1-thiophen-2-ylethylcarbamoyl)phenyl]sulfanylpropanoate

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CNC(=O)CCNS(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations