Geometry & MOs

Info

ID:	69807
PubChem CID:	47205427
Reduced:	SO2N5H11C12 (1)
Stoich.:	AB2C5D11E12 (1)
Weight, g/mol:	250.06368
ΔH_f, kcal/mol:	2.78
Dipole, Da:	7.19
IP(EA), eV:	-9.35(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(pyrimidin-2-ylamino)-N-(1,3,4-thiadiazol-2-yl)propanamide

Drug info:

PubChemData

Smile

C1CN(C(=O)N1)C2=CC=CC(=C2)C(=O)NC3=NN=CS3

DOS

IR

Vibrations