Geometry & MOs

Info

ID:	283739
PubChem CID:	104002972
Reduced:	N3O4C13H27 (1)
Stoich.:	A3B4C13D27 (1)
Weight, g/mol:	218.072513
ΔH_f, kcal/mol:	-194.78
Dipole, Da:	7.71
IP(EA), eV:	-9.09(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(thian-3-ylcarbamoylamino)acetic acid

Drug info:

PubChemData

Smile

CCCN(CC)CCNC(=O)N(CCOC)CC(=O)O

DOS

IR

Vibrations