Geometry & MOs

Info

ID:	67582
PubChem CID:	46506765
Reduced:	OSN3C17H17 (1)
Stoich.:	ABC3D17E17 (1)
Weight, g/mol:	396.10046
ΔH_f, kcal/mol:	34.39
Dipole, Da:	2.98
IP(EA), eV:	-8.47(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[1-(2-methoxy-5-methylphenyl)-5-methyltriazol-4-yl]-1,2,4-thiadiazol-5-yl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)N2C=CN=C(C2=O)NCC3=CC=CS3

DOS

IR

Vibrations