Geometry & MOs

Info

ID:	86425
PubChem CID:	49885422
Reduced:	ClSO3N4H21C22 (1)
Stoich.:	ABC3D4E21F22 (1)
Weight, g/mol:	457.124232
ΔH_f, kcal/mol:	-11.59
Dipole, Da:	5.46
IP(EA), eV:	-8.98(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide

Drug info:

PubChemData

Smile

CC1C(OC2=CC=CC=C2O1)C3=NN=C(N3CC=C)SCC(=O)NC4=CC=C(C=C4)Cl

DOS

IR

Vibrations