Geometry & MOs

Info

ID:	131635
PubChem CID:	51236847
Reduced:	S2O3N5C16H21 (1)
Stoich.:	A2B3C5D16E21 (1)
Weight, g/mol:	380.097683
ΔH_f, kcal/mol:	-53.74
Dipole, Da:	8.23
IP(EA), eV:	-8.53(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CCNC1=NN=C(S1)SCC(=O)NCC(=O)NC2=C(C=CC(=C2)C)OC

DOS

IR

Vibrations