Geometry & MOs

Info

ID:	85787
PubChem CID:	49879141
Reduced:	N4O4H22C23 (1)
Stoich.:	A4B4C22D23 (1)
Weight, g/mol:	395.105211
ΔH_f, kcal/mol:	-68.96
Dipole, Da:	2.34
IP(EA), eV:	-8.24(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)NC2C3=C(C=CC=N3)C(=O)N2C4=C(C=CC(=C4)OC)OC

DOS

IR

Vibrations