Geometry & MOs

Info

ID:	55356
PubChem CID:	17395283
Reduced:	FO2S2N4H15C21 (1)
Stoich.:	AB2C2D4E15F21 (1)
Weight, g/mol:	407.144967
ΔH_f, kcal/mol:	4.27
Dipole, Da:	3.17
IP(EA), eV:	-9.08(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]-N-(2,3-dimethylphenyl)acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CSC3=C2C(=NC=N3)SCC(=O)NNC(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations