Geometry & MOs

Info

ID:	252612
PubChem CID:	103112649
Reduced:	O2N3C12H21 (1)
Stoich.:	A2B3C12D21 (1)
Weight, g/mol:	317.140927
ΔH_f, kcal/mol:	-76.57
Dipole, Da:	4.22
IP(EA), eV:	-10.12(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CCCCN1C(=C(N=N1)C(=O)OC(C)(C)C)C

DOS

IR

Vibrations