Geometry & MOs

Info

ID:	131632
PubChem CID:	51236844
Reduced:	O2S2N3C13H15 (1)
Stoich.:	A2B2C3D13E15 (1)
Weight, g/mol:	392.134068
ΔH_f, kcal/mol:	-12.42
Dipole, Da:	2.41
IP(EA), eV:	-8.61(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoyl]phenyl]-2,2-dimethylpropanamide

Drug info:

PubChemData

Smile

CCNC1=NN=C(S1)SCC2=CC(=CC=C2)C(=O)OC

DOS

IR

Vibrations