Geometry & MOs

Info

ID:	144225
PubChem CID:	53334013
Reduced:	ClN3O4H22C23 (1)
Stoich.:	AB3C4D22E23 (1)
Weight, g/mol:	386.141262
ΔH_f, kcal/mol:	-133.63
Dipole, Da:	5.92
IP(EA), eV:	-9.06(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(2-methoxyethyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C2C3=C(COC3=O)N(C(=O)N2)CC(=O)NC4=CC(=C(C=C4)C)Cl

DOS

IR

Vibrations