Geometry & MOs

Info

ID:	305755
PubChem CID:	124968174
Reduced:	O3N5C24H27 (1)
Stoich.:	A3B5C24D27 (1)
Weight, g/mol:	356.061297
ΔH_f, kcal/mol:	-58.17
Dipole, Da:	3.24
IP(EA), eV:	-8.94(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(OC2=CC=CC=C12)C(=O)N3CC[C@H](C3)C4=NC5=C(CN(CC5)C(=O)C)C(=N4)NC

DOS

IR

Vibrations