Geometry & MOs

Info

ID:	86170
PubChem CID:	49882257
Reduced:	SO3N4C28H28 (1)
Stoich.:	AB3C4D28E28 (1)
Weight, g/mol:	476.151826
ΔH_f, kcal/mol:	-6.94
Dipole, Da:	7.12
IP(EA), eV:	-8.74(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(furan-2-ylmethyl)-2-[[5-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)C(C)SC2=NN=C(N2C3=CC=CC=C3)C4C(OC5=CC=CC=C5O4)C

DOS

IR

Vibrations