Geometry & MOs

Info

ID:	126774
PubChem CID:	50977961
Reduced:	O3N4C18H22 (1)
Stoich.:	A3B4C18D22 (1)
Weight, g/mol:	350.141262
ΔH_f, kcal/mol:	-85.06
Dipole, Da:	3.83
IP(EA), eV:	-9.28(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[2-(oxan-2-yl)ethyl]-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(NC(=C1C(=O)N2CCC(CC2)OC3=NC=CC=N3)C)C(=O)C

DOS

IR

Vibrations