Geometry & MOs

Info

ID:	86455
PubChem CID:	49885792
Reduced:	SO4N5H25C27 (1)
Stoich.:	AB4C5D25E27 (1)
Weight, g/mol:	516.183127
ΔH_f, kcal/mol:	-38.4
Dipole, Da:	4.2
IP(EA), eV:	-8.44(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methoxyphenyl)-2-[[5-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanamide

Drug info:

PubChemData

Smile

CC1C(OC2=CC=CC=C2O1)C3=NN=C(N3C4=CC=CC=C4)SCC(=O)NC5=CC=C(C=C5)NC(=O)C

DOS

IR

Vibrations