Geometry & MOs

Info

ID:	135413
PubChem CID:	51868510
Reduced:	SN2O3C14H16 (1)
Stoich.:	AB2C3D14E16 (1)
Weight, g/mol:	351.140533
ΔH_f, kcal/mol:	-75.48
Dipole, Da:	3.19
IP(EA), eV:	-9.13(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(1S)-1-thiophen-2-ylethyl]prop-2-enamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CS1)NC(=O)CCNC(=O)C2=CC=CO2

DOS

IR

Vibrations