Geometry & MOs

Info

ID:	170028
PubChem CID:	75185124
Reduced:	SN2O4C26H26 (1)
Stoich.:	AB2C4D26E26 (1)
Weight, g/mol:	479.151492
ΔH_f, kcal/mol:	-93.32
Dipole, Da:	4.52
IP(EA), eV:	-8.32(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-ylmethyl)-3-[1-[(4-methylphenyl)methyl]-2,4-dioxo-4a,7a-dihydrothieno[3,2-d]pyrimidin-3-yl]propanamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2CC3C(CC(C(=O)N3)C4=NC(=CS4)C5=CC=C(C=C5)OC)C(=O)C2

DOS

IR

Vibrations