Geometry & MOs

Info

ID:	170848
PubChem CID:	75285925
Reduced:	ClS2N3O3H20C21 (1)
Stoich.:	AB2C3D3E20F21 (1)
Weight, g/mol:	457.076613
ΔH_f, kcal/mol:	-66.99
Dipole, Da:	1.03
IP(EA), eV:	-9.06(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-yl)-2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)-4a,7a-dihydrothieno[3,2-d]pyrimidin-1-yl]acetamide

Drug info:

PubChemData

Smile

C1=CSC(=C1)CCN2C(=O)C3C(C=CS3)N(C2=O)CC(=O)NCC4=CC=C(C=C4)Cl

DOS

IR

Vibrations