Geometry & MOs

Info

ID:	306180
PubChem CID:	125002205
Reduced:	SO4N5C14H17 (1)
Stoich.:	AB4C5D14E17 (1)
Weight, g/mol:	370.168814
ΔH_f, kcal/mol:	-88.38
Dipole, Da:	6.41
IP(EA), eV:	-9.95(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-N-[2-methyl-6-[(2R)-1-(1H-pyrazol-5-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine

Drug info:

PubChemData

Smile

CC1=NC=C(C=N1)C(=O)N2CCOC[C@H]2C3=C(C=NN3)S(=O)(=O)C

DOS

IR

Vibrations