Geometry & MOs

Info

ID:	60049
PubChem CID:	26670994
Reduced:	SN3O4C25H33 (1)
Stoich.:	AB3C4D25E33 (1)
Weight, g/mol:	426.104301
ΔH_f, kcal/mol:	-139.51
Dipole, Da:	7.19
IP(EA), eV:	-8.87(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(5-chloro-2-methoxyphenyl)methyl-methyl-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]azanium

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)[C@@H]2CCCN2CC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

DOS

IR

Vibrations