Geometry & MOs

Info

ID:	86392
PubChem CID:	49884820
Reduced:	SN4O5C24H26 (1)
Stoich.:	AB4C5D24E26 (1)
Weight, g/mol:	482.162391
ΔH_f, kcal/mol:	-118.22
Dipole, Da:	6.84
IP(EA), eV:	-9.07(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 3-[[2-[[4-methyl-5-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate

Drug info:

PubChemData

Smile

CCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)C3C(OC4=CC=CC=C4O3)C

DOS

IR

Vibrations