Geometry & MOs

Info

ID:	175406
PubChem CID:	75899730
Reduced:	O2N5C19H25 (1)
Stoich.:	A2B5C19D25 (1)
Weight, g/mol:	364.133102
ΔH_f, kcal/mol:	-46.83
Dipole, Da:	3.8
IP(EA), eV:	-8.29(0.05)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

ethyl 4-[[2-(furan-2-ylmethylcarbamoyl)pyrrolidin-1-ium-1-yl]methyl]-1,3-thiazole-2-carboxylate

Drug info:

PubChemData

Smile

CC1CC(C2=CC=CC=C2N1CC(=O)NC3=C(N(N=C3C)C)C)C(=O)N

DOS

IR

Vibrations