Geometry & MOs

Info

ID:	178629
PubChem CID:	76358532
Reduced:	SO2N6C25H26 (1)
Stoich.:	AB2C6D25E26 (1)
Weight, g/mol:	435.190654
ΔH_f, kcal/mol:	66.25
Dipole, Da:	7.04
IP(EA), eV:	-8.92(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-tert-butyl-2-pyrimidin-2-ylpyrazol-3-yl)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)COC2=CC=CC(=C2)C=CC(=O)NC3=CC(=NN3C4=NC=CC=N4)C(C)(C)C

DOS

IR

Vibrations