Geometry & MOs

Info

ID:	305756
PubChem CID:	124968175
Reduced:	S2N4O4C13H16 (1)
Stoich.:	A2B4C4D13E16 (1)
Weight, g/mol:	323.138225
ΔH_f, kcal/mol:	-97.34
Dipole, Da:	8.99
IP(EA), eV:	-10.03(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1H-indazol-3-yl-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations