Geometry & MOs

Info

ID:	244620
PubChem CID:	99368304
Reduced:	N4O4C23H24 (1)
Stoich.:	A4B4C23D24 (1)
Weight, g/mol:	415.05213
ΔH_f, kcal/mol:	6.78
Dipole, Da:	8.47
IP(EA), eV:	-8.89(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCC3=NOC(=C3)C4=CC=CC=C4

DOS

IR

Vibrations