Geometry & MOs

Info

ID:	193371
PubChem CID:	78383645
Reduced:	SO4N5C22H33 (1)
Stoich.:	AB4C5D22E33 (1)
Weight, g/mol:	498.136176
ΔH_f, kcal/mol:	-77.87
Dipole, Da:	8.09
IP(EA), eV:	-8.53(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[1-[(2-cyanophenyl)methyl]-2,4-dioxo-4a,7a-dihydrothieno[3,2-d]pyrimidin-3-yl]phenyl]-N-(furan-2-ylmethyl)acetamide

Drug info:

PubChemData

Smile

CC1=NOC(=C1S(=O)(=O)NCCCN2CCN(CC2)C3=CC=C(C=C3)OC)C=CN(C)C

DOS

IR

Vibrations