Geometry & MOs

Info

ID:	125526
PubChem CID:	50927776
Reduced:	O2S2N7H15C16 (1)
Stoich.:	A2B2C7D15E16 (1)
Weight, g/mol:	496.069607
ΔH_f, kcal/mol:	65.65
Dipole, Da:	10.5
IP(EA), eV:	-8.9(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]sulfanylpyrimidin-4-yl]-N-cyclopropylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CC1NC(=O)C2=NN(C=C2)C3=CC(=NC=N3)SCC(=O)NC4=NC=CS4

DOS

IR

Vibrations