Geometry & MOs

Info

ID:	290296
PubChem CID:	104426476
Reduced:	BrO2N5C12H16 (1)
Stoich.:	AB2C5D12E16 (1)
Weight, g/mol:	286.146347
ΔH_f, kcal/mol:	-10.66
Dipole, Da:	4.54
IP(EA), eV:	-8.88(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-N-(2-methoxyethyl)propanamide

Drug info:

PubChemData

Smile

COCCNC(=O)CCNC1=NN2C=CC=C(C2=N1)Br

DOS

IR

Vibrations