Geometry & MOs

Info

ID:	65423
PubChem CID:	29214924
Reduced:	OS2N7C17H25 (1)
Stoich.:	AB2C7D17E25 (1)
Weight, g/mol:	474.139548
ΔH_f, kcal/mol:	63.96
Dipole, Da:	8.77
IP(EA), eV:	-8.36(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-yl)-2-[2-[[butylcarbamothioyl(methyl)amino]carbamoyl]phenyl]sulfanylacetamide

Drug info:

PubChemData

Smile

CCCCNC(=S)N(C)NC(=O)CSC1=NN=NN1C2=C(C=CC(=C2)C)C

DOS

IR

Vibrations