Geometry & MOs

Info

ID:	330223
PubChem CID:	127247210
Reduced:	S2N3O3C14H17 (1)
Stoich.:	A2B3C3D14E17 (1)
Weight, g/mol:	340.066383
ΔH_f, kcal/mol:	-74.19
Dipole, Da:	1.53
IP(EA), eV:	-9.37(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C(=O)N2CCC(C2)C3=C(C=NN3)S(=O)(=O)C

DOS

IR

Vibrations