Geometry & MOs

Info

ID:	122388
PubChem CID:	50804436
Reduced:	FSO2N4H21C23 (1)
Stoich.:	ABC2D4E21F23 (1)
Weight, g/mol:	476.188212
ΔH_f, kcal/mol:	-17.38
Dipole, Da:	3.06
IP(EA), eV:	-8.4(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(3,4-dimethoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl-N-(2-ethyl-6-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)CSC2=CC(=NC3=C(C=NN23)C4=CC=C(C=C4)F)C

DOS

IR

Vibrations