Geometry & MOs

Info

ID:	245483
PubChem CID:	99445219
Reduced:	OS2N6H16C18 (1)
Stoich.:	AB2C6D16E18 (1)
Weight, g/mol:	395.166748
ΔH_f, kcal/mol:	160.1
Dipole, Da:	5.56
IP(EA), eV:	-9.3(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-ethyl-N-[(2R)-1-methoxypropan-2-yl]-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide

Drug info:

PubChemData

Smile

C[C@H](C1=NC(=NO1)C2=CC=CS2)SC3=NN=C(N3C4CC4)C5=CN=CC=C5

DOS

IR

Vibrations