Geometry & MOs

Info

ID:	217491
PubChem CID:	85087898
Reduced:	ClO3C21H33 (1)
Stoich.:	AB3C21D33 (1)
Weight, g/mol:	370.030954
ΔH_f, kcal/mol:	-173.54
Dipole, Da:	5.04
IP(EA), eV:	-8.98(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3,4-dichlorophenyl)methyl]-6-propan-2-yl-4a,7a-dihydro-1H-thieno[2,3-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC(=CCCC(=CCCC12CCCC1(C(C(=O)OC2)CCCl)O)C)C

DOS

IR

Vibrations