Geometry & MOs

Info

ID:	31218
PubChem CID:	855226
Reduced:	SO3N4C16H16 (1)
Stoich.:	AB3C4D16E16 (1)
Weight, g/mol:	308.130697
ΔH_f, kcal/mol:	-25.77
Dipole, Da:	7.34
IP(EA), eV:	-8.77(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=CO1)C2=NN=C(N2C3=CC=C(C=C3)OC)SCC(=O)N

DOS

IR

Vibrations