Geometry & MOs

Info

ID:	86388
PubChem CID:	49884794
Reduced:	S2N5O5C27H27 (1)
Stoich.:	A2B5C5D27E27 (1)
Weight, g/mol:	410.141262
ΔH_f, kcal/mol:	-75.76
Dipole, Da:	4.16
IP(EA), eV:	-8.97(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-2-[[4-methyl-5-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CCOC(=O)CC1=CSC(=N1)NC(=O)C(C)SC2=NN=C(N2C3=CC=CC=C3)C4(COC5=CC=CC=C5O4)C

DOS

IR

Vibrations