Geometry & MOs

Info

ID:	336190
PubChem CID:	127255197
Reduced:	N2O3C9H9 (2)
Stoich.:	A2B3C9D9 (2)
Weight, g/mol:	355.099063
ΔH_f, kcal/mol:	-204.51
Dipole, Da:	4.68
IP(EA), eV:	-9.03(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-4-pyrrol-1-ylbutanamide

Drug info:

PubChemData

Smile

CN1C(=C(N(C1=O)C)C2=CC=C(C=C2)C(=O)O)C3C(=O)N(C(=O)N(C3=O)C)C

DOS

IR

Vibrations