Geometry & MOs

Info

ID:	261980
PubChem CID:	103264086
Reduced:	NSO4C10H15 (1)
Stoich.:	ABC4D10E15 (1)
Weight, g/mol:	229.11365
ΔH_f, kcal/mol:	-127.82
Dipole, Da:	4.69
IP(EA), eV:	-8.41(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-(thian-4-ylmethylamino)but-2-enoic acid

Drug info:

PubChemData

Smile

CC(CS(=O)C)NCC1=C(C=CO1)C(=O)O

DOS

IR

Vibrations