Geometry & MOs

Info

ID:	131616
PubChem CID:	51235484
Reduced:	SO2F3N5C14H20 (1)
Stoich.:	AB2C3D5E14F20 (1)
Weight, g/mol:	382.059189
ΔH_f, kcal/mol:	-219.58
Dipole, Da:	4.89
IP(EA), eV:	-8.75(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,4-dimethylphenyl)propanamide

Drug info:

PubChemData

Smile

CC1=NN=C(N1C2CCCCC2)SCC(=O)NC(=O)NCC(F)(F)F

DOS

IR

Vibrations