Geometry & MOs

Info

ID:	27056
PubChem CID:	813959
Reduced:	SO2N4C16H18 (1)
Stoich.:	AB2C4D16E18 (1)
Weight, g/mol:	346.146347
ΔH_f, kcal/mol:	-8.88
Dipole, Da:	6.86
IP(EA), eV:	-9.14(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-N-[(2S)-1-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]propanamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=NN=C(S1)C2=CC=CC=C2)NC(=O)C3CCC3

DOS

IR

Vibrations