Geometry & MOs

Info

ID:	122389
PubChem CID:	50804489
Reduced:	SO3N4C26H28 (1)
Stoich.:	AB3C4D26E28 (1)
Weight, g/mol:	492.183127
ΔH_f, kcal/mol:	-18.43
Dipole, Da:	3.66
IP(EA), eV:	-8.06(-1.21)
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)methyl]acetamide

Drug info:

PubChemData

Smile

CCC1=CC=CC(=C1NC(=O)CSC2=CC(=NC3=C(C=NN23)C4=CC(=C(C=C4)OC)OC)C)C

DOS

IR

Vibrations