Geometry & MOs

Info

ID:	67646
PubChem CID:	46506895
Reduced:	SO2N4C22H22 (1)
Stoich.:	AB2C4D22E22 (1)
Weight, g/mol:	422.141262
ΔH_f, kcal/mol:	22.38
Dipole, Da:	3.91
IP(EA), eV:	-8.35(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxyphenyl)-2-[[2-(2-methoxyphenyl)-4,5-dihydropyrazolo[1,5-a]pyrazin-4-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)CSC2C3=CC(=NN3C=CN2)C4=CC=CC=C4OC

DOS

IR

Vibrations