Geometry & MOs

Info

ID:	170820
PubChem CID:	75284684
Reduced:	ClSN3O3H22C23 (1)
Stoich.:	ABC3D3E22F23 (1)
Weight, g/mol:	449.140927
ΔH_f, kcal/mol:	-74.69
Dipole, Da:	2.73
IP(EA), eV:	-9.16(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]-3-(3-methylphenyl)-4a,7a-dihydrothieno[3,2-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2C(=O)C3C(C=CS3)N(C2=O)CC(=O)NCCC4=CC=C(C=C4)Cl

DOS

IR

Vibrations