Geometry & MOs

Info

ID:	122386
PubChem CID:	50804433
Reduced:	SO3N4C26H28 (1)
Stoich.:	AB3C4D26E28 (1)
Weight, g/mol:	476.118812
ΔH_f, kcal/mol:	-16.12
Dipole, Da:	5.71
IP(EA), eV:	-7.86(-1.1)
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-(1,1-dioxothiolan-3-yl)acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations