Geometry & MOs

Info

ID:	306130
PubChem CID:	125001698
Reduced:	ON5C16H21 (1)
Stoich.:	AB5C16D21 (1)
Weight, g/mol:	342.045647
ΔH_f, kcal/mol:	14.28
Dipole, Da:	5.34
IP(EA), eV:	-9.45(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]-(1,3-thiazol-5-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(NN=C1)[C@@H]2CCN(C2)C(=O)C3=CN=C(N=C3)C(C)C

DOS

IR

Vibrations