Geometry & MOs

Info

ID:	421672
PubChem CID:	135116408
Reduced:	SN2O4C18H28 (1)
Stoich.:	AB2C4D18E28 (1)
Weight, g/mol:	289.124883
ΔH_f, kcal/mol:	-182.82
Dipole, Da:	5.79
IP(EA), eV:	-9.07(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-(5-ethylthiophen-2-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)CC(=O)N2C[C@H]([C@@H](C2)O)CS(=O)(=O)N(C)C)C

DOS

IR

Vibrations