Geometry & MOs

Info

ID:	122384
PubChem CID:	50804236
Reduced:	SO3N4C25H26 (1)
Stoich.:	AB3C4D25E26 (1)
Weight, g/mol:	478.167477
ΔH_f, kcal/mol:	-9.81
Dipole, Da:	3.36
IP(EA), eV:	-7.91(-1.15)
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-(4-ethoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC(=O)CSC2=CC(=NC3=C(C=NN23)C4=CC(=C(C=C4)OC)OC)C

DOS

IR

Vibrations