Geometry & MOs

Info

ID:	142525
PubChem CID:	53050089
Reduced:	SO3N4C25H26 (1)
Stoich.:	AB3C4D25E26 (1)
Weight, g/mol:	481.158389
ΔH_f, kcal/mol:	-55.43
Dipole, Da:	7.04
IP(EA), eV:	-8.7(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-ethyl-6-[(3-methoxyphenyl)methyl]-3-methyl-7-oxopyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl-N-(4-fluorophenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1N(CCS2)C(=O)NC3=CC=CC(=C3)C(=O)NCC4=CC=CC=C4OC)C

DOS

IR

Vibrations